Cas no 850429-69-5 (N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide)

N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide structure
850429-69-5 structure
Product Name:N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide
CAS No:850429-69-5
MF:C13H18BrNO2S
MW:332.256521701813
MDL:MFCD07363834
CID:733161
PubChem ID:7213299
Update Time:2024-10-26

N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,3-bromo-N-cyclohexyl-4-methyl-
    • 3-bromo-N-cyclohexyl-4-methylbenzenesulfonamide
    • N-CYCLOHEXYL 3-BROMO-4-METHYLBENZENESULFONAMIDE
    • N-CYCLOHEXYL 3-BROMO-4-METHYLBENZENESULFONAMIDE USP/EP/BP
    • C13H18BrNO2S
    • AB30867
    • N-Cyclohexyl3-bromo-4-methylbenzenesulfonamide
    • ZINC04369299
    • SCHEMBL21369122
    • BS-23732
    • 850429-69-5
    • 3-Bromo-N-cyclohexyl-4-methylbenzene-1-sulfonamide
    • MFCD07363834
    • AKOS015834633
    • DTXSID60428443
    • N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide
    • MDL: MFCD07363834
    • Inchi: 1S/C13H18BrNO2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
    • InChI Key: CNTDHRBLONXWGE-UHFFFAOYSA-N
    • SMILES: C1(S(NC2CCCCC2)(=O)=O)=CC=C(C)C(Br)=C1

Computed Properties

  • Exact Mass: 331.02400
  • Monoisotopic Mass: 331.024162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 360
  • 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: 54.6
  • XLogP3: 3.8

Experimental Properties

  • Density: 1.46
  • Boiling Point: 432.8°C at 760 mmHg
  • Flash Point: 215.6°C
  • Refractive Index: 1.597
  • PSA: 54.55000
  • LogP: 4.84020
  • pka: 11.49±0.20(Predicted)

N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide Pricemore >>

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