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    CAS 42899-76-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 42899-76-3, Pyridine-3-sulfonyl chloride hcl, 3-pyridinesulfonyl chloride, hydrochloride, 3-pyridinesulfonyl chloride hydrochloride, 3-pyridinesulfonyl chloride, hcl, Pyridine-3-sulfonyl chloride;hydrochloride
    Molecular Formula
    C5H5Cl2NO2S
    Molecular Weight
    214.07  g/mol
    InChI Key
    VIVPWOMJFLICOZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 42899-76-3

    2. Pyridine-3-sulfonyl Chloride Hcl

    3. 3-pyridinesulfonyl Chloride, Hydrochloride

    4. 3-pyridinesulfonyl Chloride Hydrochloride

    5. 3-pyridinesulfonyl Chloride, Hcl

    6. Pyridine-3-sulfonyl Chloride;hydrochloride

    7. Pyridine-3-sulphonyl Chloride Hydrochloride

    8. Pyridine-3-sulfonylchloride Hydrochloride

    9. 3-pyridylsulfonylchloride Hcl

    10. Schembl214680

    11. 3-pyridinesulphonylchloride-hcl

    12. Dtxsid20502990

    13. 3-pyridine Sulfonyl Chloride Hcl

    14. Vivpwomjflicoz-uhfffaoysa-n

    15. Bcp11100

    16. Mfcd04035552

    17. 3-pyridylsulfonylchloride Hydrochloride

    18. Akos007929994

    19. 3-pyridinesulfonylchloride Hydrochloride

    20. As-7034

    21. Cs-w019484

    22. Pb34068

    23. 3-pyridine Sulfonyl Chloride Hydrochloride

    24. Ac-25688

    25. Db-004082

    26. Db-013283

    27. Pyridine-3-ylsulfonyl Chloride Hydrochloride

    28. A6959

    29. Am20051177

    30. En300-33581

    31. 3-pyridylsulfonyl Chloride Hydrochloride

    32. Pyridine-3-sulfonyl Chloride Hydrochloride Salt

    33. Pyridine-3-sulphonic Acid Chloride Hydrochloride

    34. Pyridine-3-sulphonyl Chloride Hydrochloride, Tech

    35. A826055

    36. Pyridin-3-ylsulfonyl Chloride Hydrochloride

    37. J-524121

    38. 3-pyridinesulfonyl Chloride Hydrochloride, Aldrichcpr

    39. F2145-0709

    40. Pyridine-3-sulfonyl Chloride--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 214.07 g/mol
    Molecular Formula C5H5Cl2NO2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.4
    Heavy Atom Count11
    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 Count2