Molecular Weight of Phenylmethanesulfonamide (C7H9NO2S)
Identification of Phenylmethanesulfonamide Chemical Compound
| Chemical Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.21686 g/mol |
| IUPAC Name | phenylmethanesulfonamide |
| SMILES String | NS(=O)(=O)Cc1ccccc1 |
| InChI | InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) |
| InChIKey | ABOYDMHGKWRPFD-UHFFFAOYSA-N |
Molecular Weight Description
The Phenylmethanesulfonamide molecule consists of 9 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 20 atom(s). The molecular weight of Phenylmethanesulfonamide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 171.21686 · \frac{g}{mol} $$
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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Additional Information for Identifying Phenylmethanesulfonamide Molecule
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Structure Data File (SDF/MOL File) of Phenylmethanesulfonamide
The structure data file (SDF/MOL File) of Phenylmethanesulfonamide is available for download in the SDF page of Phenylmethanesulfonamide, which provides the information on atoms, bonds, connectivity and coordinates of Phenylmethanesulfonamide. The Phenylmethanesulfonamide 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 Phenylmethanesulfonamide
The molecular structure image of Phenylmethanesulfonamide is available in chemical structure page of Phenylmethanesulfonamide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Phenylmethanesulfonamide and the chemical bonds that hold the atoms together.
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Chemical formula of Phenylmethanesulfonamide
The molecular formula of Phenylmethanesulfonamide is given in chemical formula page of Phenylmethanesulfonamide, 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 Phenylmethanesulfonamide
In addition to the molecular weight information, the structural information of Phenylmethanesulfonamide in a textual expression is available via InChi. The full standard InChI of Phenylmethanesulfonamide is given below:
InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
It can provide a way to encode the molecular information of Phenylmethanesulfonamide 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 Phenylmethanesulfonamide is:
InChIKey=ABOYDMHGKWRPFD-UHFFFAOYSA-N
It may allow easier web searches for Phenylmethanesulfonamide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Phenylmethanesulfonamide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Phenylmethanesulfonamide
There may be different names of the Phenylmethanesulfonamide compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- T6891143
- C-05418
- BBV-022470
- AR-1H8628
- Z89268868
- J-519680
- I01-2875
- AF-962/00508012
- A826865
- M-4801
- VU0611281-1
- EN300-26996
- B3466
- 4CH-014337
- Q637
- CS-W005788
- MFCD00041893
- BDBM50175005
- ANW-30331
- HMS1788O16
- 1-phenyl-methane sulfonamide
- 1-(phenyl)methanesulfonamide
- 1-phenylmethane sulfonamide
- Toluenesulfonamide, alpha-
- alpha-toluene sulfonamide
- phenyl-methanesulfonamide
- 1-phenylmethylsulfonamid
- alphatoluenesulfonamide
- Toluene-alpha-sulphonamide
- F3334-0812
- Toluene-.omega.-sulfonamide
- 1-phenylmethanesulfonamide
- .alpha.-Toluenesulfonamide
- Methanesulfonamide, 1-phenyl-
- alpha-Toluenesulfonamide
- Benzylsulfonamide
- 4563-33-1
- Benzenemethanesulfonamide
Phenylmethanesulfonamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Phenylmethanesulfonamide? |
|---|
| C7H9NO2S |
| How many atoms and what are the elements in the Phenylmethanesulfonamide molecule? |
| 20 atom(s) - 9 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the Phenylmethanesulfonamide structure? |
| 20 bond(s) - 11 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 sulfonamide(s) (thio-/dithio-) |
| What’s the molar mass of Phenylmethanesulfonamide? |
| 171.21686 g/mol |
| What’s the SMILES format of Phenylmethanesulfonamide? |
| NS(=O)(=O)Cc1ccccc1 |
| What’s the InChI format of Phenylmethanesulfonamide? |
| InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) |
| What’s the InChIKey string of Phenylmethanesulfonamide? |
| ABOYDMHGKWRPFD-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).