SDF/Mol File of Phenylmethanesulfonamide (C7H9NO2S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Phenylmethanesulfonamide Molecule

• Chemical structure of Phenylmethanesulfonamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Phenylmethanesulfonamide is available in chemical structure page of Phenylmethanesulfonamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Phenylmethanesulfonamide

  The chemical 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.

• InChI (IUPAC International Chemical Identifier) information of Phenylmethanesulfonamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Phenylmethanesulfonamide is:

  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 standard 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

  The InChIKey may allow easier web searches for Phenylmethanesulfonamide, but it needs to be linked to the full InChI to get back to the original structure of the Phenylmethanesulfonamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Phenylmethanesulfonamide

  The Phenylmethanesulfonamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Phenylmethanesulfonamide including the registry numbers are listed below, 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

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Phenylmethanesulfonamide Identification Summary Frequently Asked Questions (FAQs)

What’s the Phenylmethanesulfonamide formula?
C7H9NO2S
How many atoms and what elements are included 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 kind 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 Phenylmethanesulfonamide’s molar mass?
171.21686 g/mol
What’s the SMILES structure of Phenylmethanesulfonamide?
NS(=O)(=O)Cc1ccccc1
What’s the InChI code 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 format of Phenylmethanesulfonamide?
ABOYDMHGKWRPFD-UHFFFAOYSA-N

39 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).