Cas no 13952-55-1 (4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethylbenzenesulfonamide)

4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethylbenzenesulfonamide structure
13952-55-1 structure
Product Name:4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethylbenzenesulfonamide
CAS No:13952-55-1
MF:C22H32N2O4S2
MW:452.630483627319
CID:902818
PubChem ID:266973
Update Time:2025-04-19

4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethylbenzenesulfonamide
    • 4,4'-hexane-1,6-diylbis(n,n-dimethylbenzenesulfonamide)
    • AC1L6H7Q
    • AR-1F8025
    • NSC106060
    • NSC-106060
    • 4-[6-[4-(dimethylsulfamoyl)phenyl]hexyl]-N,N-dimethyl-benzenesulfonamide
    • DS-014795
    • DTXSID60295874
    • 13952-55-1
    • Inchi: 1S/C22H32N2O4S2/c1-23(2)29(25,26)21-15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(18-14-20)30(27,28)24(3)4/h11-18H,5-10H2,1-4H3
    • InChI Key: MYWUZGGVQLDWGC-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)CCCCCCC1C=CC(=CC=1)S(N(C)C)(=O)=O)(N(C)C)(=O)=O

Computed Properties

  • Exact Mass: 452.18000
  • Monoisotopic Mass: 452.18
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 630
  • 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: 4.6
  • Topological Polar Surface Area: 91.5?2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 598.8°C at 760 mmHg
  • Flash Point: 315.9°C
  • Refractive Index: 1.561
  • PSA: 91.52000
  • LogP: 5.69440
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