Structure & Deep Data of Phenylmethanesulfonamide (C7H9NO2S)
Identification of Phenylmethanesulfonamide Chemical Compound
Chemical Formula | C7H9NO2S |
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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 |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Phenylmethanesulfonamide molecule contains a total of 20 bond(s). There are 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-). Images of the chemical structure of Phenylmethanesulfonamide are given below:
The 2D chemical structure image of Phenylmethanesulfonamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Phenylmethanesulfonamide 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 Phenylmethanesulfonamide 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 Phenylmethanesulfonamide. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Phenylmethanesulfonamide is provided here.
The Phenylmethanesulfonamide 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 Phenylmethanesulfonamide 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 Phenylmethanesulfonamide 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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Additional Information for Identifying Phenylmethanesulfonamide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Phenylmethanesulfonamide
The SMILES string of Phenylmethanesulfonamide is NS(=O)(=O)Cc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Phenylmethanesulfonamide.
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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 about the atoms, bonds, connectivity and coordinates of Phenylmethanesulfonamide. The Phenylmethanesulfonamide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Phenylmethanesulfonamide
The molecular formula of Phenylmethanesulfonamide is available 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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Molecular weight of Phenylmethanesulfonamide
The molecular weight of Phenylmethanesulfonamide is available in molecular weight page of Phenylmethanesulfonamide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Phenylmethanesulfonamide
The Phenylmethanesulfonamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Phenylmethanesulfonamide including the various 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 chemical formula of Phenylmethanesulfonamide? |
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C7H9NO2S |
How many atoms and what are the elements included 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 kind of bonds are included 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 Phenylmethanesulfonamide’s molecular weight? |
171.21686 g/mol |
What’s the SMILES code of Phenylmethanesulfonamide? |
NS(=O)(=O)Cc1ccccc1 |
What’s the InChI string 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 code 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).