Cas no 410545-71-0 (5-fluoro-N,N,2-trimethylbenzenesulfonamide)

5-fluoro-N,N,2-trimethylbenzenesulfonamide structure
410545-71-0 structure
Product Name:5-fluoro-N,N,2-trimethylbenzenesulfonamide
CAS No:410545-71-0
MF:C9H12FNO2S
MW:217.260484695435
CID:2145112
PubChem ID:16753949
Update Time:2025-04-21

5-fluoro-N,N,2-trimethylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 5-fluoro-N,N,2-trimethylbenzenesulfonamide
    • DB-325326
    • NHOBYURJJKNOFU-UHFFFAOYSA-N
    • SCHEMBL1151540
    • 410545-71-0
    • 5-Fluoro-2,N,N-trimethyl-benzenesulfonamide
    • Inchi: 1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3
    • InChI Key: NHOBYURJJKNOFU-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=CC=1C)F)(N(C)C)(=O)=O

Computed Properties

  • Exact Mass: 217.05727796Da
  • Monoisotopic Mass: 217.05727796Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 284
  • 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: 1.5
  • Topological Polar Surface Area: 45.8?2
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