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    CAS 72811-73-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 72811-73-5, 4-(m-tolylamino)pyridine-3-sulfonamide, 4-(3-methylphenyl)amino-3-pyridinesulfonamide, 4-(3-methylanilino)pyridine-3-sulfonamide, 4-[(3-methylphenyl)amino]pyridine-3-sulfonamide, Bm-960102
    Molecular Formula
    C12H13N3O2S
    Molecular Weight
    263.32  g/mol
    InChI Key
    ZXPCUGWAKUIOOF-UHFFFAOYSA-N
    FDA UNII
    7GN70NEN27
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(3-methylanilino)pyridine-3-sulfonamide
    2.1.2 InChI
    InChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)
    2.1.3 InChI Key
    ZXPCUGWAKUIOOF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    7GN70NEN27
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 72811-73-5

    2. 4-(m-tolylamino)pyridine-3-sulfonamide

    3. 4-(3-methylphenyl)amino-3-pyridinesulfonamide

    4. 4-(3-methylanilino)pyridine-3-sulfonamide

    5. 4-[(3-methylphenyl)amino]pyridine-3-sulfonamide

    6. Bm-960102

    7. 4-[(3-methylphenyl)amino]-3-pyridinesulfonamide

    8. Torsemide Related Compound A

    9. 3-sulfonamido-4-(3-methylanilino)pyridine

    10. 7gn70nen27

    11. 4-((3-methylphenyl)amino)-3-pyridinesulfonamide

    12. 3-pyridinesulfonamide, 4-((3-methylphenyl)amino)-

    13. 3-pyridinesulfonamide, 4-[(3-methylphenyl)amino]-

    14. 4-(3-toluidino)pyridine-3-sulfonamide

    15. 4-(3-methylphenylamino)pyridine-3-sulfonamide

    16. Torsemide Impurity B

    17. Unii-7gn70nen27

    18. Bm 960102

    19. [4-(3-methylphenyl)amino]pyridine-3-sulphonamide

    20. Torsemide Related Compound A [usp]

    21. Torsemide Related Compound A Rs [usp]

    22. Ec 615-805-8

    23. 4-(-3-methylphenyl)amino-3-pyridinesulfonamide

    24. 3-sulfonamido-4-(3-methylanilino)-pyridine

    25. Mls001180446

    26. Schembl2876602

    27. Chembl1890160

    28. Dtxsid40223135

    29. Hms2804f17

    30. Zinc334942

    31. Bcp11204

    32. Mfcd00661332

    33. Stl451287

    34. 4-(m-tolylamino)-3-sulfamoylpyridine

    35. Akos015889810

    36. Ac-2050

    37. Ck-0211

    38. Cs-w012463

    39. Smr000476525

    40. 4-(3-methylanilino)-3-pyridinesulfonamide

    41. Db-002539

    42. Torasemide Impurity B [ep Impurity]

    43. 4-(3-methylphenyl)amino-3-sulfamoylpyridine

    44. Ft-0641424

    45. T3007

    46. 4-(3-methylphenyl)aminopyridine-3-sulfonamide

    47. Torsemide Related Compound A [usp-rs]

    48. 4-(3-methylphenylamino)-3-pyridine Sulfonamide

    49. 4-(3-methylphenyl-amino)-3-pyridine Sulfonamide

    50. 4-(3-methylphenylamino)-3-pyridine-sulphonamide

    51. 811m735

    52. A837631

    53. Aj-333/25006115

    54. Torsemide Related Compound A [usp Impurity]

    55. Q27268264

    56. Torsemide Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 263.32 g/mol
    Molecular Formula C12H13N3O2S
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass263.07284784 g/mol
    Monoisotopic Mass263.07284784 g/mol
    Topological Polar Surface Area93.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity366
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1