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    CAS 6292-59-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6292-59-7, 4-(tert-butyl)benzenesulfonamide, 4-tert-butylbenzenesulphonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-, 4-tert-butylbenzene-1-sulfonamide, P-tert-butylbenzenesulfonamide
    Molecular Formula
    C10H15NO2S
    Molecular Weight
    213.30  g/mol
    InChI Key
    KYDZEZNYRFJCSA-UHFFFAOYSA-N
    FDA UNII
    3HBX5G8GUV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-tert-butylbenzenesulfonamide
    2.1.2 InChI
    InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
    2.1.3 InChI Key
    KYDZEZNYRFJCSA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    3HBX5G8GUV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6292-59-7

    2. 4-(tert-butyl)benzenesulfonamide

    3. 4-tert-butylbenzenesulphonamide

    4. Benzenesulfonamide, 4-(1,1-dimethylethyl)-

    5. 4-tert-butylbenzene-1-sulfonamide

    6. P-tert-butylbenzenesulfonamide

    7. 4-(1,1-dimethylethyl)benzenesulfonamide

    8. Nsc-9911

    9. 3hbx5g8guv

    10. Mfcd00068599

    11. 4-(tert-butyl)benzene-1-sulfonamide

    12. 4-(tert-butyl)benzenesulphonamide

    13. Nsc9911

    14. Unii-3hbx5g8guv

    15. P-t-butylbenzenesulfonamide

    16. 4-t-butylbenzenesulfonamide

    17. P-t-butylphenyl-sulfonamide

    18. Cambridge Id 5103993

    19. 4-tertbutylbenzenesulfonamide

    20. Bosentan Related Compound E

    21. P-tert-butylphenylsulfonamide

    22. Bosentan Related Compound 2

    23. Oprea1_291564

    24. Oprea1_624932

    25. Cbdive_002179

    26. P-tert-butylbenzenesulphonamide

    27. Schembl283836

    28. 4-tert-butyl-benzenesulfonamide

    29. (4-tert-butyl)benzenesulfonamide

    30. Dtxsid70278754

    31. Zinc160561

    32. Act08570

    33. Bcp08837

    34. Cs-m1898

    35. Am1107

    36. Stl372660

    37. Akos001056211

    38. Ac-6947

    39. Fs-1453

    40. Sy018881

    41. 4-tert-butylbenzenesulphonamide, Aldrichcpr

    42. Db-024719

    43. B3837

    44. Ft-0603699

    45. O11103

    46. Ab00073666-01

    47. Sr-01000195199

    48. J-516004

    49. Sr-01000195199-1

    50. F0808-2042

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 213.30 g/mol
    Molecular Formula C10H15NO2S
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area68.5
    Heavy Atom Count14
    Formal Charge0
    Complexity276
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1