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    CAS 5626-90-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: N,n'-diacetylsulfanilamide, 5626-90-4, 29591-86-4, N-[4-(acetylsulfamoyl)phenyl]acetamide, N-((4-acetamidophenyl)sulfonyl)acetamide, N,n-diacetylsulfanilamide
    Molecular Formula
    C10H12N2O4S
    Molecular Weight
    256.28  g/mol
    InChI Key
    YTJJPFRVBNFIBN-UHFFFAOYSA-N
    FDA UNII
    8C2674GI56
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(acetylsulfamoyl)phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
    2.1.3 InChI Key
    YTJJPFRVBNFIBN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    8C2674GI56
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. N,n'-diacetylsulfanilamide

    2. 5626-90-4

    3. 29591-86-4

    4. N-[4-(acetylsulfamoyl)phenyl]acetamide

    5. N-((4-acetamidophenyl)sulfonyl)acetamide

    6. N,n-diacetylsulfanilamide

    7. 8c2674gi56

    8. Nsc-402278

    9. N-((4-(acetylamino)phenyl)sulfonyl)acetamide

    10. Acetamide, N-[[4-(acetylamino)phenyl]sulfonyl]-

    11. Acetamide, N-((4-(acetylamino)phenyl)sulfonyl)-

    12. Einecs 227-067-0

    13. Nsc402278

    14. Cbmicro_014099

    15. Cambridge Id 5215946

    16. N1,n4-diacetylsulfanilamide

    17. Oprea1_300212

    18. N1,n4-diacetyl Sulphanilamide

    19. Schembl10992157

    20. Unii-8c2674gi56

    21. Zinc56457

    22. Dtxsid10204810

    23. Chebi:185808

    24. Smsf0004635

    25. Mfcd00008678

    26. Akos001296661

    27. N-(4-acetamidophenylsulfonyl)acetamide

    28. N-[4-(acetylsulamoyl)phenyl]acetamide

    29. Cb09446

    30. Nsc 402278

    31. 4-acetylamino-n-acetylbenzenesulfonamide

    32. P-(acetylamino)-n-acetylbenzenesulfonamide

    33. Bim-0014114.p001

    34. Acetanilide, 4'-(acetylsulfamoyl)-

    35. Cs-0212894

    36. D1773

    37. Ft-0757277

    38. N-{4-[(acetylamino)sulfonyl]phenyl}acetamide

    39. D89924

    40. N-(4-[(acetylamino)sulfonyl]phenyl)acetamide #

    41. Acetamide, N,n'-(p-phenylenesulfonyl)bis-

    42. Sr-01000198944

    43. Sr-01000198944-1

    44. Sulfacetamide Sodium Impurity C [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 256.28 g/mol
    Molecular Formula C10H12N2O4S
    XLogP3-1.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area101
    Heavy Atom Count17
    Formal Charge0
    Complexity391
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1