Cas no 109357-83-7 (N-(4-sulfamoylphenyl)heptadecanamide)

N-(4-sulfamoylphenyl)heptadecanamide structure
109357-83-7 structure
Product Name:N-(4-sulfamoylphenyl)heptadecanamide
CAS No:109357-83-7
MF:C23H40N2O3S
MW:424.640305519104
CID:1187186
PubChem ID:71334859
Update Time:2025-04-20

N-(4-sulfamoylphenyl)heptadecanamide Chemical and Physical Properties

Names and Identifiers

    • N-(4-sulfamoylphenyl)heptadecanamide
    • DTXSID30762922
    • 109357-83-7
    • Inchi: 1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)25-21-17-19-22(20-18-21)29(24,27)28/h17-20H,2-16H2,1H3,(H,25,26)(H2,24,27,28)
    • InChI Key: LXNDISOJULJLPP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)NC(CCCCCCCCCCCCCCCC)=O)(N)(=O)=O

Computed Properties

  • Exact Mass: 424.2762
  • Monoisotopic Mass: 424.27596432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 17
  • Complexity: 509
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.9
  • Topological Polar Surface Area: 97.6?2

Experimental Properties

  • PSA: 89.26
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