Molecular Weight of Ambcb9148563 (C20H22N2O4S2)
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| Chemical Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.52968 g/mol |
| IUPAC Name | 1-{[4-(methylsulfanyl)-3-[(morpholin-4-yl)carbonyl]benzene]sulfonyl}-2,3-dihydro-1H-indole |
| SMILES String | CSc1ccc(cc1C(=O)N2CCOCC2)S(=O)(=O)N3CCc4ccccc34 |
| InChI | InChI=1S/C20H22N2O4S2/c1-27-19-7-6-16(14-17(19)20(23)21-10-12-26-13-11-21)28(24,25)22-9-8-15-4-2-3-5-18(15)22/h2-7,14H,8-13H2,1H3 |
| InChIKey | NZEFCFXPYJTRDH-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Molecular Weight Description
The Ambcb9148563 molecule consists of 22 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s) - a total of 50 atom(s). The molecular weight of Ambcb9148563 is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
418.52968·gmol
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Ambcb9148563 Molecule
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Structure Data File (SDF/MOL File) of Ambcb9148563
The structure data file (SDF/MOL File) of Ambcb9148563 is available for download in the SDF page of Ambcb9148563, which provides the information on atoms, bonds, connectivity and coordinates of Ambcb9148563. The Ambcb9148563 structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Ambcb9148563
The molecular structure image of Ambcb9148563 is available in chemical structure page of Ambcb9148563, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ambcb9148563 and the chemical bonds that hold the atoms together.
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Chemical formula of Ambcb9148563
The molecular formula of Ambcb9148563 is given in chemical formula page of Ambcb9148563, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Ambcb9148563
In addition to the molecular weight information, the structural information of Ambcb9148563 in a textual expression is available via InChi. The full standard InChI of Ambcb9148563 is given below:
InChI=1S/C20H22N2O4S2/c1-27-19-7-6-16(14-17(19)20(23)21-10-12-26-13-11-21)28(24,25)22-9-8-15-4-2-3-5-18(15)22/h2-7,14H,8-13H2,1H3
It can provide a way to encode the molecular information of Ambcb9148563 to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Ambcb9148563 is:
InChIKey=NZEFCFXPYJTRDH-UHFFFAOYSA-N
It may allow easier web searches for Ambcb9148563. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Ambcb9148563 as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ambcb9148563
There may be different names of the Ambcb9148563 compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- [5-(2,3-dihydro-1H-indol-1-ylsulfonyl)-2-(methylsulfanyl)phenyl](morpholin-4-yl)methanone
- Ambcb9148563
Ambcb9148563 Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Ambcb9148563? |
|---|
| C20H22N2O4S2 |
| How many atoms and what are the elements in the Ambcb9148563 molecule? |
| 50 atom(s) - 22 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the Ambcb9148563 structure? |
| 53 bond(s) - 31 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 nine-membered ring(s), 1 tertiary amide(s) (aromatic), 1 ether(s) (aliphatic), 1 sulfide(s), and 1 sulfonamide(s) (thio-/dithio-) |
| What’s the molar mass of Ambcb9148563? |
| 418.52968 g/mol |
| What’s the SMILES format of Ambcb9148563? |
| CSc1ccc(cc1C(=O)N2CCOCC2)S(=O)(=O)N3CCc4ccccc34 |
| What’s the InChI format of Ambcb9148563? |
| InChI=1S/C20H22N2O4S2/c1-27-19-7-6-16(14-17(19)20(23)21-10-12-26-13-11-21)28(24,25)22-9-8-15-4-2-3-5-18(15)22/h2-7,14H,8-13H2,1H3 |
| What’s the InChIKey string of Ambcb9148563? |
| NZEFCFXPYJTRDH-UHFFFAOYSA-N |