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    Chemistry

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    Also known as: 150975-95-4, 5-methylsulfonaminoindole-2-carboxylic acid, 1h-indole-2-carboxylic acid, 5-[(methylsulfonyl)amino]-, 5-(methanesulfonamido)-1h-indole-2-carboxylic acid, 5-(methylsulfonamido)-1h-indole-2-carboxylic acid, T8ec5ng7z5
    Molecular Formula
    C10H10N2O4S
    Molecular Weight
    254.26  g/mol
    InChI Key
    AHXMYKDPQPQFMW-UHFFFAOYSA-N
    FDA UNII
    T8EC5NG7Z5
    CAS 150975-95-4
    1 2D Structure

    CAS 150975-95-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(methanesulfonamido)-1H-indole-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-2-3-8-6(4-7)5-9(11-8)10(13)14/h2-5,11-12H,1H3,(H,13,14)
    2.1.3 InChI Key
    AHXMYKDPQPQFMW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    T8EC5NG7Z5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 150975-95-4

    2. 5-methylsulfonaminoindole-2-carboxylic Acid

    3. 1h-indole-2-carboxylic Acid, 5-[(methylsulfonyl)amino]-

    4. 5-(methanesulfonamido)-1h-indole-2-carboxylic Acid

    5. 5-(methylsulfonamido)-1h-indole-2-carboxylic Acid

    6. T8ec5ng7z5

    7. 1h-indole-2-carboxylicacid, 5-[(methylsulfonyl)amino]-

    8. Unii-t8ec5ng7z5

    9. 5-methylsulfonaminoindole-2-carboxylicacid

    10. 5-[(methylsulfonyl)amino]-1h-indole-2-carboxylic Acid

    11. Schembl8406457

    12. Dtxsid70164668

    13. Zinc1420700

    14. Mfcd00236371

    15. Akos015965530

    16. Ac-20389

    17. Db-049835

    18. Ft-0733045

    19. 5-(methylsulfonamido)-1h-indole-2-carboxylicacid

    20. 5-(methylsulfonylamino)-1h-indole-2-carboxylic Acid

    21. Q27289811

    2.4 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 254.26 g/mol
    Molecular Formula C10H10N2O4S
    XLogP31.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass254.03612798 g/mol
    Monoisotopic Mass254.03612798 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity403
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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