Cas no 827579-81-7 (Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-)

Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]- structure
827579-81-7 structure
Product Name:Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-
CAS No:827579-81-7
MF:C8H8INO4S
MW:341.122893333435
CID:683715
PubChem ID:71417354
Update Time:2025-04-19

Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-iodo-5-[(methylsulfonyl)amino]-
    • 3-iodo-5-(methanesulfonamido)benzoic acid
    • DTXSID50836694
    • FT-0723666
    • 827579-81-7
    • 3-Iodo-5-[(methanesulfonyl)amino]benzoic acid
    • Inchi: 1S/C8H8INO4S/c1-15(13,14)10-7-3-5(8(11)12)2-6(9)4-7/h2-4,10H,1H3,(H,11,12)
    • InChI Key: RJKTVIMLESOQGZ-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)O)C=C(C=1)NS(C)(=O)=O

Computed Properties

  • Exact Mass: 340.92188g/mol
  • Monoisotopic Mass: 340.92188g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 337
  • 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: 1.1
  • Topological Polar Surface Area: 91.8?2
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