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    CAS 109903-35-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 109903-35-7, 1-(4-aminophenyl)-n-methylmethanesulfonamide, 4-amino-n-methyl-alpha-toluenesulfonamide, Benzenemethanesulfonamide, 4-amino-n-methyl-, (4-aminophenyl)-n-methylmethanesulfonamide, 76t5q2tvd4
    Molecular Formula
    C8H12N2O2S
    Molecular Weight
    200.26  g/mol
    InChI Key
    CIWNHTXCBHTWRV-UHFFFAOYSA-N
    FDA UNII
    76T5Q2TVD4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-aminophenyl)-N-methylmethanesulfonamide
    2.1.2 InChI
    InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3
    2.1.3 InChI Key
    CIWNHTXCBHTWRV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNS(=O)(=O)CC1=CC=C(C=C1)N
    2.2 Other Identifiers
    2.2.1 UNII
    76T5Q2TVD4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 109903-35-7

    2. 1-(4-aminophenyl)-n-methylmethanesulfonamide

    3. 4-amino-n-methyl-alpha-toluenesulfonamide

    4. Benzenemethanesulfonamide, 4-amino-n-methyl-

    5. (4-aminophenyl)-n-methylmethanesulfonamide

    6. 76t5q2tvd4

    7. 4-(((methylamino)sulfonyl)methyl)aniline

    8. 4-amino-n-methyl-alpha-toluenesulphonamide

    9. 4-amino-n-methylbenzenemethanesulfonamide Hydrochloride

    10. 1-(4-aminophenyl)-n-methyl-methanesulfonamide

    11. Unii-76t5q2tvd4

    12. Schembl631823

    13. 4methylaminosulfonylmethylaniline

    14. 4-methylaminosulfonylmethylaniline

    15. Dtxsid90380787

    16. 4-aminobenzyl Sulfonyl Methylamine

    17. 4-methylsulphamoylmethyl-phenylamine

    18. Amy18669

    19. Zinc2567350

    20. Mfcd00671697

    21. Akos009158415

    22. Cs-w022080

    23. Sb77421

    24. 4-amino-n-methylbenzenemethanesulfonaide

    25. Ts-00334

    26. 4-amino-n-methylbenzene Methanesulphonamide

    27. N-methyl-(4-aminophenyl)-methanesulfonamide

    28. 4-amino-n-methyl- Alpha -toluenesulfonamide

    29. Ft-0617588

    30. (4-amino-phenyl)-n-methyl-methane Sulfonamide

    31. 1-(4-aminophenyl)-n-methylmethanesulphonamide

    32. C-(4-aminophenyl)-n-methyl-methanesulfonamide

    33. (4-amino-phenyl)-n-methyl-methane Sulphonamide

    34. C-(4-amino-phenyl)-n-methyl-methanesulfonamide

    35. O10284

    36. 4-amino-n-methyl-alpha-toluenesulfonamide, 97%

    37. 903a357

    38. J-002342

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 200.26 g/mol
    Molecular Formula C8H12N2O2S
    XLogP30.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area80.6
    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