Cas no 59777-59-2 (Butyl 4-sulfamoylbenzoate)

Butyl 4-sulfamoylbenzoate structure
Butyl 4-sulfamoylbenzoate structure
Product Name:Butyl 4-sulfamoylbenzoate
CAS No:59777-59-2
MF:C11H15NO4S
MW:257.30610203743
CID:2834418
PubChem ID:23274639
Update Time:2025-04-21

Butyl 4-sulfamoylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 59777-59-2
    • DTXSID90632298
    • 4-Sulfamoyl-benzoic acid butyl ester
    • CHEMBL147233
    • Butyl 4-sulfamoylbenzoate
    • Inchi: 1S/C11H15NO4S/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
    • InChI Key: ZMMSBDVMJNGQMZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)OCCCC)=CC=1)(N)(=O)=O

Computed Properties

  • Exact Mass: 257.07217913Da
  • Monoisotopic Mass: 257.07217913Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 339
  • 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: 2.3
  • Topological Polar Surface Area: 94.8?2
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