Cas no 143306-00-7 (5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-)

5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]- structure
143306-00-7 structure
Product Name:5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-
CAS No:143306-00-7
MF:C22H25ClN4O2S
MW:444.977502584457
CID:145386
PubChem ID:6439460
Update Time:2025-04-19

5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-
    • 5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl...
    • N-(2-aminoethyl)-N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
    • 5-Isoquinolinesulfonamide, N-(2-aminoethyl)-N-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-
    • N-(2-Aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide
    • N-(2-aminoethyl)-N-(2-{[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
    • W-66
    • N-(2-aminoethyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
    • AKOS040754387
    • N-(2-Aminoethyl)-N-(2-((3-(4-chlorophenyl)allyl)amino)ethyl)isoquinoline-5-sulfonamide
    • W 66
    • 143306-00-7
    • Inchi: 1S/C22H25ClN4O2S/c23-20-8-6-18(7-9-20)3-2-12-25-14-16-27(15-11-24)30(28,29)22-5-1-4-19-17-26-13-10-21(19)22/h1-10,13,17,25H,11-12,14-16,24H2/b3-2+
    • InChI Key: DSFZLDPXONYEAS-NSCUHMNNSA-N
    • SMILES: ClC1C=CC(=CC=1)/C=C/CNCCN(CCN)S(C1=CC=CC2C=NC=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 444.1386749g/mol
  • Monoisotopic Mass: 444.1386749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 10
  • Complexity: 632
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 96.7?2
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