Cas no 102909-09-1 (Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester)

Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester structure
102909-09-1 structure
Product Name:Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester
CAS No:102909-09-1
MF:C9H11NO5S
MW:245.252341508865
CID:1134606
PubChem ID:13852480
Update Time:2025-04-20

Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester
    • 2-hydroxyethyl 2-sulfamoylbenzoate
    • DTXSID00551229
    • JHENOANIMKFEMS-UHFFFAOYSA-N
    • 2-Aminosulfonylbenzoic acid, 2-hydroxyethyl ester
    • 102909-09-1
    • Inchi: 1S/C9H11NO5S/c10-16(13,14)8-4-2-1-3-7(8)9(12)15-6-5-11/h1-4,11H,5-6H2,(H2,10,13,14)
    • InChI Key: JHENOANIMKFEMS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C(=O)OCCO)(N)(=O)=O

Computed Properties

  • Exact Mass: 245.03583
  • Monoisotopic Mass: 245.03579362g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 334
  • 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: -0.3
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • PSA: 106.69
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