Cas no 61318-32-9 (Benzenesulfonyl chloride, 4-[(1-oxododecyl)amino]-)

Benzenesulfonyl chloride, 4-[(1-oxododecyl)amino]- structure
61318-32-9 structure
Product Name:Benzenesulfonyl chloride, 4-[(1-oxododecyl)amino]-
CAS No:61318-32-9
MF:C18H28ClNO3S
MW:373.937823295593
CID:484316
PubChem ID:71396957
Update Time:2025-04-19

Benzenesulfonyl chloride, 4-[(1-oxododecyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 4-[(1-oxododecyl)amino]-
    • 4-(dodecanoylamino)benzenesulfonyl chloride
    • 61318-32-9
    • DTXSID30818478
    • 4-(Dodecanoylamino)benzene-1-sulfonyl chloride
    • Inchi: 1S/C18H28ClNO3S/c1-2-3-4-5-6-7-8-9-10-11-18(21)20-16-12-14-17(15-13-16)24(19,22)23/h12-15H,2-11H2,1H3,(H,20,21)
    • InChI Key: AMBOQKWXOMWDFP-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(=CC=1)NC(CCCCCCCCCCC)=O)(=O)=O

Computed Properties

  • Exact Mass: 373.14804
  • Monoisotopic Mass: 373.1478426g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 12
  • Complexity: 440
  • 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: 6.3
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 63.24
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