Cas no 28242-03-7 (Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-)

Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]- structure
28242-03-7 structure
Product Name:Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-
CAS No:28242-03-7
MF:C13H19NO5S
MW:301.358662843704
CID:237727
PubChem ID:71356201
Update Time:2025-04-19

Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-
    • 4-[3-hydroxypropyl(propyl)sulfamoyl]benzoic acid
    • 28242-03-7
    • 4-(((3-Hydroxypropyl)propylamino)sulfonyl)benzoic acid
    • SCHEMBL23787610
    • UNII-KH6A8BM4VL
    • DTXSID30780348
    • 4-[(3-Hydroxypropyl)(propyl)sulfamoyl]benzoic acid
    • Benzoic acid, 4-(((3-hydroxypropyl)propylamino)sulfonyl)-
    • KH6A8BM4VL
    • Inchi: 1S/C13H19NO5S/c1-2-8-14(9-3-10-15)20(18,19)12-6-4-11(5-7-12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
    • InChI Key: QTBVEQLTAKZGJJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=CC=1)(N(CCC)CCCO)(=O)=O

Computed Properties

  • Exact Mass: 301.09839388g/mol
  • Monoisotopic Mass: 301.09839388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 396
  • 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: 2
  • Topological Polar Surface Area: 103?2
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