Cas no 103204-31-5 (Prop-2-enyl 4-sulfamoylbenzoate)

Prop-2-enyl 4-sulfamoylbenzoate structure
103204-31-5 structure
Product Name:Prop-2-enyl 4-sulfamoylbenzoate
CAS No:103204-31-5
MF:C10H11NO4S
MW:241.26364159584
CID:1136286
PubChem ID:11536043
Update Time:2025-04-20

Prop-2-enyl 4-sulfamoylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Prop-2-enyl 4-sulfamoylbenzoate
    • CHEMBL381455
    • 4-Sulfamoyl-benzoic acid allyl ester
    • Benzoic acid, 4-(aminosulfonyl)-, 2-propenyl ester
    • CHEBI:433733
    • ACMC-20m632
    • AGN-PC-00B3MN
    • DNC012908
    • CTK0G7183
    • SureCN6705334
    • allyl 4-(aminosulfonyl)benzoate
    • CHEMBL381455; 4-Sulfamoyl-benzoic acid allyl ester; Benzoic acid, 4-(aminosulfonyl)-, 2-propenyl ester; CHEBI:433733; ACMC-20m632; AGN-PC-00B3MN; DNC012908; CTK0G7183; SureCN6705334; allyl 4-(aminosulfonyl)benzoate;
    • DTXSID90468211
    • 2-Propen-1-yl 4-(aminosulfonyl)benzoate
    • 103204-31-5
    • BDBM50175049
    • VWKMDRWBZTWKNM-UHFFFAOYSA-N
    • SCHEMBL6705334
    • NYA4MVZ55P
    • Benzoic acid, 4-(aminosulfonyl)-, 2-propen-1-yl ester
    • Inchi: 1S/C10H11NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h2-6H,1,7H2,(H2,11,13,14)
    • InChI Key: VWKMDRWBZTWKNM-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)OCC=C)=CC=1)(N)(=O)=O

Computed Properties

  • Exact Mass: 241.04093
  • Monoisotopic Mass: 241.04087901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 350
  • 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: 1.3
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • PSA: 86.46
  • LogP: 2.45790

Prop-2-enyl 4-sulfamoylbenzoate Related Literature

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