Cas no 105627-81-4 (5-Isoquinolinesulfonyl chloride, 1-chloro-, hydrochloride)

5-Isoquinolinesulfonyl chloride, 1-chloro-, hydrochloride structure
105627-81-4 structure
Product Name:5-Isoquinolinesulfonyl chloride, 1-chloro-, hydrochloride
CAS No:105627-81-4
MF:C9H6Cl3NO2S
MW:298.573438167572
MDL:MFCD12827687
CID:1157865
PubChem ID:21979936
Update Time:2025-04-20

5-Isoquinolinesulfonyl chloride, 1-chloro-, hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 5-Isoquinolinesulfonyl chloride, 1-chloro-, hydrochloride
    • 1-Chloroisoquinoline-5-sulfonyl chloride Hydrochloride
    • DTXSID60621098
    • SCHEMBL5663856
    • 105627-81-4
    • 1-Chloroisoquinoline-5-sulfonyl chloride--hydrogen chloride (1/1)
    • 1-chloroisoquinoline-5-sulfonyl chloride;hydrochloride
    • (1-chloro-5-isoquinolyl)sulfonyl chloride hydrochloride
    • 1-chloro-5-isoquinolinesulfonyl chloride hydrochloride
    • CSGOGYMPINXURE-UHFFFAOYSA-N
    • MDL: MFCD12827687
    • Inchi: 1S/C9H5Cl2NO2S.ClH/c10-9-7-2-1-3-8(15(11,13)14)6(7)4-5-12-9;/h1-5H;1H
    • InChI Key: CSGOGYMPINXURE-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC=CC2C(=NC=CC1=2)Cl)(=O)=O.Cl

Computed Properties

  • Exact Mass: 296.91868
  • Monoisotopic Mass: 296.918483g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 328
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 47.03

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