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    CAS 16133-25-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 16133-25-8, 3-pyridinesulfonyl chloride, Pyridine-3-sulfonylchloride, Genbank cx447129 (9ci), 813222-82-1, Chloro-3-pyridylsulfone
    Molecular Formula
    C5H4ClNO2S
    Molecular Weight
    177.61  g/mol
    InChI Key
    CDRNYKLYADJTMN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyridine-3-sulfonyl chloride
    2.1.2 InChI
    InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
    2.1.3 InChI Key
    CDRNYKLYADJTMN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CN=C1)S(=O)(=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16133-25-8

    2. 3-pyridinesulfonyl Chloride

    3. Pyridine-3-sulfonylchloride

    4. Genbank Cx447129 (9ci)

    5. 813222-82-1

    6. Chloro-3-pyridylsulfone

    7. 3-pyridinesulfonylchloride

    8. 3-pyridinesulphonylchloride

    9. 3-pyridylsulfonyl Chloride

    10. 3-pyridinylsulfonyl Chloride

    11. Pyrid-3-ylsulfonyl Chloride

    12. Pyridin-3-sulfonyl Chloride

    13. Pyridine-3-sulphonylchloride

    14. 3-pyridine Sulfonyl Chloride

    15. Schembl17072

    16. Pyridin-3-ylsulfonyl Chloride

    17. 3-pyridine Sulphonyl Chloride

    18. Pyridine-?3-?sulfonyl Chloride

    19. Pyridine-3-sulfonyl Hydrochloride

    20. Dtxsid70936483

    21. Act09915

    22. Bcp12293

    23. Mfcd03452747

    24. Pyridine-3-sulphonyl Chloride

    25. Stk802246

    26. Zinc32098730

    27. Akos000265497

    28. Ab15457

    29. Cs-w008940

    30. Sb10035

    31. Ac-29288

    32. Bs-13229

    33. Am20050853

    34. Bb 0218420

    35. Ft-0650180

    36. P1935

    37. En300-30525

    38. A24444

    39. 899p763

    40. J-009815

    41. J-524122

    42. Z1741981597

    43. Pyridine-3-sulfonyl Chloride, For Hplc Derivatization, >=98.0% (gc)

    2.3 Create Date
    2005-08-10
    3 Chemical and Physical Properties
    Molecular Weight 177.61 g/mol
    Molecular Formula C5H4ClNO2S
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass176.9651272 g/mol
    Monoisotopic Mass176.9651272 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1