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    CAS 35303-76-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 35303-76-5, 4-(2-aminoethyl)benzene-1-sulfonamide, Benzenesulfonamide, 4-(2-aminoethyl)-, 4-(2-aminoethyl)benzene sulfonamide, 4-(2-aminoethyl)benzenesulphonamide, 4-(2-amino-ethyl)-benzenesulfonamide
    Molecular Formula
    C8H12N2O2S
    Molecular Weight
    200.26  g/mol
    InChI Key
    FXNSVEQMUYPYJS-UHFFFAOYSA-N
    FDA UNII
    WIA59Y34CJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-aminoethyl)benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
    2.1.3 InChI Key
    FXNSVEQMUYPYJS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCN)S(=O)(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    WIA59Y34CJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aebsnh2

    2.3.2 Depositor-Supplied Synonyms

    1. 35303-76-5

    2. 4-(2-aminoethyl)benzene-1-sulfonamide

    3. Benzenesulfonamide, 4-(2-aminoethyl)-

    4. 4-(2-aminoethyl)benzene Sulfonamide

    5. 4-(2-aminoethyl)benzenesulphonamide

    6. 4-(2-amino-ethyl)-benzenesulfonamide

    7. Mfcd00010301

    8. Chembl7087

    9. Wia59y34cj

    10. 4-aminoethylbenzenesulfonamide

    11. 2-(4-sulfamoylphenyl)ethylamine

    12. 4-(2-aminoethyl)benzesulfonamide

    13. 4-(2-aminoethyl)-benzenesulfonamide Hydrochloride

    14. Einecs 252-501-0

    15. 4-(2-aminoethyl) Benzenesulfonamide

    16. 4-(2-aminoethyl)benzene-sulfonamide

    17. Aebs

    18. 4-(2-aminoethyl)benzene Sulphonamide

    19. Unii-wia59y34cj

    20. Ec 252-501-0

    21. Timtec1_004114

    22. Oprea1_683536

    23. Cbdive_002752

    24. Mls000776589

    25. Schembl142107

    26. Aromatic Sulfonamide Compound 7

    27. Bdbm10861

    28. Zinc56629

    29. Dtxsid20188814

    30. Hms1545k22

    31. Hms2682a23

    32. Hms3604d10

    33. P-(2-aminoethyl)benzenesulfonamide

    34. Bcp13828

    35. Str01507

    36. 2-(4-sulfamoyl-phenyl)-ethyl-amine

    37. 4-(2-amino-ethyl)benzenesulfonamide

    38. 4--(2-aminoethyl)benzenesulfonamide

    39. Aromatic/heteroaromatic Sulfonamide 6

    40. Bbl018125

    41. Stl102633

    42. 4-(2-amino Ethyl)benzene Sulfonamide

    43. P-aminoethyl Benzenesulfonamide

    44. 4-(beta-aminoethyl)-benzenesulfonamide

    45. Akos000119356

    46. P-(beta-aminoethyl)-benzenesulfonamide

    47. 2-[4-(aminosulfonyl)phenyl]ethylamine

    48. Db08782

    49. Sb78461

    50. 2-amino Ethyl Benzene Sulfonamide

    51. Ncgc00245988-01

    52. Para-(beta-aminoethyl)benzenesulphonamide

    53. Ac-18741

    54. Bp-20147

    55. Smr000371838

    56. 4-(2-aminoethyl)benzenesulfonamide, 99%

    57. Db-048777

    58. Am20040264

    59. Bb 0218502

    60. Ft-0616511

    61. D70143

    62. A822722

    63. W-106677

    64. Q27097962

    65. Z56755653

    66. F0051-0002

    67. Zyx

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 200.26 g/mol
    Molecular Formula C8H12N2O2S
    XLogP3-0.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass200.06194880 g/mol
    Monoisotopic Mass200.06194880 g/mol
    Topological Polar Surface Area94.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity237
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1