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Structure of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide (C21H23FN2O5S)

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2D chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide
Chemical Formula C21H23FN2O5S
Molecular Weight 434.48112 g/mol
IUPAC Name 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide
SMILES String Cc1ccccc1NC(=O)c2ccc(F)c(c2)S(=O)(=O)N3CCC4(CC3)OCCO4
InChI InChI=1S/C21H23FN2O5S/c1-15-4-2-3-5-18(15)23-20(25)16-6-7-17(22)19(14-16)30(26,27)24-10-8-21(9-11-24)28-12-13-29-21/h2-7,14H,8-13H2,1H3,(H,23,25)
InChIKey DBGQCDOZSQGYLP-UHFFFAOYSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide molecule contains a total of 56 bond(s). There are 33 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 secondary amide(s) (aromatic), 2 ether(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide are given below:

2D chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide
2-dimensional (2D) chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide
3D chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide
3-dimensional (3D) chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide

The 2D chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide. Download structure data file (SDF/MOL) file of this compound.

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide is provided here.

The 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.

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  • Name: ethanol
  • CAS #: 64-17-5
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Additional Information for Identifying 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide Molecule

  • Other names (synonyms) or registry numbers of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide

    The 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide including the various registry numbers, if available:

    • 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-4-fluoro-N-(2-methylphenyl)benzamide
    • 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-fluoro-N-(2-methylphenyl)benzamide

3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide?
C21H23FN2O5S
How many atoms and what are the elements included the 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide molecule?
53 atom(s) - 23 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide structure?
56 bond(s) - 33 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 secondary amide(s) (aromatic), 2 ether(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide’s molecular weight?
434.48112 g/mol
What’s the SMILES code of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide?
Cc1ccccc1NC(=O)c2ccc(F)c(c2)S(=O)(=O)N3CCC4(CC3)OCCO4
What’s the InChI string of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide?
InChI=1S/C21H23FN2O5S/c1-15-4-2-3-5-18(15)23-20(25)16-6-7-17(22)19(14-16)30(26,27)24-10-8-21(9-11-24)28-12-13-29-21/h2-7,14H,8-13H2,1H3,(H,23,25)
What’s the InChIKey code of 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluoro-N-(2-methylphenyl)benzamide?
DBGQCDOZSQGYLP-UHFFFAOYSA-N