ChemSpider 2D Image | 4-Hexyl-N-{[4-(2-pyrimidinylsulfamoyl)phenyl]carbamothioyl}benzenesulfonamide | C23H27N5O4S3

4-Hexyl-N-{[4-(2-pyrimidinylsulfamoyl)phenyl]carbamothioyl}benzenesulfonamide

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID66458297

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Hexyl-N-{[4-(2-pyrimidinylsulfamoyl)phenyl]carbamothioyl}benzenesulfonamide [ACD/IUPAC Name]
4-Hexyl-N-{[4-(2-pyrimidinylsulfamoyl)phényl]carbamothioyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-Hexyl-N-{[4-(2-pyrimidinylsulfamoyl)phenyl]carbamothioyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-hexyl-N-[[[4-[(2-pyrimidinylamino)sulfonyl]phenyl]amino]thioxomethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 705.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 39.67
ACD/KOC (pH 5.5): 130.40
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 20.77
Polar Surface Area: 179 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 383.3±3.0 cm3

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