Download Structure Data File(SDF/Mol File) of Phenylmethanesulfonamide (C7H9NO2S)

Identification of Phenylmethanesulfonamide Chemical Compound

2D chemical structure image of Phenylmethanesulfonamide
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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Phenylmethanesulfonamide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Phenylmethanesulfonamide molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of Phenylmethanesulfonamide
Ball-and-stick model of Phenylmethanesulfonamide

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:

    • Phenylmethanesulfonamide
    • Benzenemethanesulfonamide
    • 4563-33-1
    • Benzylsulfonamide
    • alpha-Toluenesulfonamide
    • Methanesulfonamide, 1-phenyl-
    • .alpha.-Toluenesulfonamide
    • 1-phenylmethanesulfonamide
    • Toluene-.omega.-sulfonamide
    • F3334-0812
    • Toluene-alpha-sulphonamide
    • alphatoluenesulfonamide
    • 1-phenylmethylsulfonamid
    • phenyl-methanesulfonamide
    • alpha-toluene sulfonamide
    • Toluenesulfonamide, alpha-
    • 1-phenylmethane sulfonamide
    • 1-(phenyl)methanesulfonamide
    • 1-phenyl-methane sulfonamide
    • HMS1788O16
    • ANW-30331
    • BDBM50175005
    • MFCD00041893
    • CS-W005788
    • Q637
    • 4CH-014337
    • B3466
    • EN300-26996
    • VU0611281-1
    • M-4801
    • A826865
    • AF-962/00508012
    • I01-2875
    • J-519680
    • Z89268868
    • AR-1H8628
    • BBV-022470
    • C-05418
    • T6891143

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

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.