Cas no 6105-18-6 (3,4-dimethyl-N-(4-sulfamoylbenzyl)benzamide)

3,4-dimethyl-N-(4-sulfamoylbenzyl)benzamide structure
6105-18-6 structure
Product Name:3,4-dimethyl-N-(4-sulfamoylbenzyl)benzamide
CAS No:6105-18-6
MF:C16H18N2O3S
MW:318.390722751617
CID:1624674
PubChem ID:759574
Update Time:2025-04-21

3,4-dimethyl-N-(4-sulfamoylbenzyl)benzamide Chemical and Physical Properties

Names and Identifiers

    • 3,4-dimethyl-N-(4-sulfamoylbenzyl)benzamide
    • benzamide, N-[[4-(aminosulfonyl)phenyl]methyl]-3,4-dimethyl-
    • SR-01000434962
    • CB14778
    • 6105-18-6
    • EU-0038438
    • N-[4-(aminosulfonyl)benzyl]-3,4-dimethylbenzamide
    • CBMicro_011320
    • SMSF0014031
    • Oprea1_052359
    • BIM-0011513.P001
    • SR-01000434962-1
    • N~1~-[4-(AMINOSULFONYL)BENZYL]-3,4-DIMETHYLBENZAMIDE
    • DTXSID50976544
    • AKOS001615320
    • STK417363
    • 3,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
    • Inchi: 1S/C16H18N2O3S/c1-11-3-6-14(9-12(11)2)16(19)18-10-13-4-7-15(8-5-13)22(17,20)21/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
    • InChI Key: AGOCSKKCACEIKU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)CNC(C1C=CC(C)=C(C)C=1)=O)(N)(=O)=O

Computed Properties

  • Exact Mass: 318.10394
  • Monoisotopic Mass: 318.10381361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 478
  • 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
  • Topological Polar Surface Area: 97.6?2

Experimental Properties

  • PSA: 89.26
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