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    CAS 6973-09-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 6973-09-7, 3-amino-6-methylbenzenesulfonamide, 2-methyl-5-aminobenzene sulfonamide, Benzenesulfonamide, 5-amino-2-methyl-, 5-amino-2-methylbenzene-1-sulfonamide, Mfcd06681071
    Molecular Formula
    C7H10N2O2S
    Molecular Weight
    186.23  g/mol
    InChI Key
    KTPBKMYOIFHJMI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-2-methylbenzenesulfonamide
    2.1.2 InChI
    InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
    2.1.3 InChI Key
    KTPBKMYOIFHJMI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)N)S(=O)(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6973-09-7

    2. 3-amino-6-methylbenzenesulfonamide

    3. 2-methyl-5-aminobenzene Sulfonamide

    4. Benzenesulfonamide, 5-amino-2-methyl-

    5. 5-amino-2-methylbenzene-1-sulfonamide

    6. Mfcd06681071

    7. 5-amino-2-methyl-benzenesulfonamide

    8. Nsc36969

    9. P-aminotoluol-sulfonamid

    10. Schembl342932

    11. 3-amino-6-methylbenzenesulfonam

    12. Amino-2-methylbenzenesulfonamide

    13. Dtxsid40284367

    14. 3-(aminosulfonyl)-4-methylaniline

    15. 2-methyl-5-amino Benzenesulfonamide

    16. 3-amino-6-methyl-benzenesulfonamide

    17. 5-amino-2-methyl Benzenesulfonamide

    18. Bcp23176

    19. Cs-b0767

    20. Zinc3888713

    21. Nsc-36969

    22. Stl363259

    23. Akos000123046

    24. 3-aminosulfonyl-4-methylaniline

    25. Pb18742

    26. Ac-24855

    27. As-14160

    28. Sy003683

    29. 5-amino-2-methylbenzene-sulfonamide

    30. Db-012230

    31. Am20061065

    32. Ft-0658813

    33. En300-12407

    34. 5-amino-2-methylbenzenesulfonamide, Aldrichcpr

    35. 973a097

    36. A836624

    37. A1-01694

    38. Q-103465

    39. Z89270697

    40. F9995-0234

    41. 5-amino-2-methyl-benzenesulfonamide;3-amino-6-methylbenzenesulfonamide

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 186.23 g/mol
    Molecular Formula C7H10N2O2S
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass186.04629874 g/mol
    Monoisotopic Mass186.04629874 g/mol
    Topological Polar Surface Area94.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1