Cas no 52331-16-5 (Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]-)

Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]- structure
52331-16-5 structure
Product Name:Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]-
CAS No:52331-16-5
MF:C9H7F6NO4S2
MW:371.276601076126
CID:1576715
PubChem ID:51000118
Update Time:2025-04-21

Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]-
    • 1,1,1-trifluoro-N-(p-tolyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
    • N-(4-Methylphenyl) bis-trifluoromethane sulfonimide
    • SCHEMBL2199940
    • 1,1,1-trifluoro-N-(4-methylphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
    • KCNCHSQFLMLRSZ-UHFFFAOYSA-N
    • 52331-16-5
    • MDL: MFCD18379792
    • Inchi: 1S/C9H7F6NO4S2/c1-6-2-4-7(5-3-6)16(21(17,18)8(10,11)12)22(19,20)9(13,14)15/h2-5H,1H3
    • InChI Key: KCNCHSQFLMLRSZ-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(N(C1C=CC(C)=CC=1)S(C(F)(F)F)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 370.97211
  • Monoisotopic Mass: 370.972
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 546
  • 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
  • Topological Polar Surface Area: 88.3A^2
  • XLogP3: 3.4

Experimental Properties

  • PSA: 71.52

Methanesulfonamide,1,1,1-trifluoro-N-(4-methylphenyl)-N-[(trifluoromethyl)sulfonyl]- Pricemore >>

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