Cas no 59777-68-3 (ethyl 3-sulfamoylbenzoate)

ethyl 3-sulfamoylbenzoate structure
ethyl 3-sulfamoylbenzoate structure
Product Name:ethyl 3-sulfamoylbenzoate
CAS No:59777-68-3
MF:C9H11NO4S
MW:229.25294137001
CID:3109753
PubChem ID:108837
Update Time:2025-04-21

ethyl 3-sulfamoylbenzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 3-sulfamoylbenzoate
    • SCHEMBL132039
    • AKOS008948536
    • 3-Sulfamoyl-benzoic acid ethyl ester
    • NS00120417
    • G23304
    • Z53850825
    • ethyl3-sulfamoylbenzoate
    • ethyl 3-(aminosulfonyl)benzoate
    • Oprea1_003514
    • 59777-68-3
    • 991-577-6
    • EN300-156660
    • CHEMBL148733
    • Inchi: 1S/C9H11NO4S/c1-2-14-9(11)7-4-3-5-8(6-7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
    • InChI Key: BKFKPPZXMYZMDJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C(=O)OCC)C=1)(N)(=O)=O

Computed Properties

  • Exact Mass: 229.04087901Da
  • Monoisotopic Mass: 229.04087901Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 319
  • 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: 0.6
  • Topological Polar Surface Area: 94.8?2

ethyl 3-sulfamoylbenzoate Pricemore >>

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