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    Acedia Sulphone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 80-03-5, Acediasulphone, N-p-sulfanilylphenylglycine, N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine, 30yp2yhh8w, Chembl48396
    Molecular Formula
    C14H14N2O4S
    Molecular Weight
    306.34  g/mol
    InChI Key
    FKKUMFTYSTZUJG-UHFFFAOYSA-N
    FDA UNII
    30YP2YHH8W
    Acediasulfone is a long-acting prodrug of dapsone, used in the treatment of leprosy.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(4-aminophenyl)sulfonylanilino]acetic acid
    2.1.2 InChI
    InChI=1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
    2.1.3 InChI Key
    FKKUMFTYSTZUJG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    30YP2YHH8W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ace (sulfone)

    2.3.2 Depositor-Supplied Synonyms

    1. 80-03-5

    2. Acediasulphone

    3. N-p-sulfanilylphenylglycine

    4. N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine

    5. 30yp2yhh8w

    6. Chembl48396

    7. N-(4-((4-aminophenyl)sulphonyl)phenyl)glycine

    8. 2-[4-(4-aminophenyl)sulfonylanilino]acetic Acid

    9. Acediasulfonum

    10. Nsc-158324

    11. Unii-30yp2yhh8w

    12. Einecs 201-243-7

    13. Acediasulfone [mi]

    14. Zinc862

    15. Schembl143660

    16. Acediasulfone [who-dd]

    17. Dtxsid00229991

    18. Chebi:135300

    19. Bdbm50099670

    20. Db08926

    21. {4-[(4-aminophenyl)sulfonyl]anilino}acetic Acid

    22. 2-(4-(4-aminophenylsulfonyl)phenylamino)acetic Acid

    23. Q4673051

    24. [4-(4-amino-benzenesulfonyl)-phenylamino]-acetic Acid

    25. 2-({4-[(4-aminophenyl)sulfonyl]phenyl}amino)acetic Acid

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 306.34 g/mol
    Molecular Formula C14H14N2O4S
    XLogP31
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass306.06742811 g/mol
    Monoisotopic Mass306.06742811 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity444
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1