Cas no 321531-71-9 (dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate)

dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate structure
321531-71-9 structure
Product Name:dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate
CAS No:321531-71-9
MF:C16H14FNO6S
MW:367.348866939545
CID:3062367
PubChem ID:1050459
Update Time:2025-04-21

dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate
    • dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
    • CCG-110358
    • SR-01000478017-1
    • STK063017
    • AKOS000671091
    • DTXSID701146985
    • 1,3-DIMETHYL 5-(4-FLUOROBENZENESULFONAMIDO)BENZENE-1,3-DICARBOXYLATE
    • 321531-71-9
    • SR-01000478017
    • dimethyl 5-{[(4-fluorophenyl)sulfonyl]amino}isophthalate
    • 1,3-Dimethyl 5-[[(4-fluorophenyl)sulfonyl]amino]-1,3-benzenedicarboxylate
    • AG-690/11632215
    • Inchi: 1S/C16H14FNO6S/c1-23-15(19)10-7-11(16(20)24-2)9-13(8-10)18-25(21,22)14-5-3-12(17)4-6-14/h3-9,18H,1-2H3
    • InChI Key: GFYPTWTYMKMOAL-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(NC1C=C(C(=O)OC)C=C(C(=O)OC)C=1)(=O)=O

Computed Properties

  • Exact Mass: 367.05258650Da
  • Monoisotopic Mass: 367.05258650Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 558
  • 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: 107?2
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