ChemSpider 2D Image | 4-({[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)benzenesulfonamide | C13H13ClN4O3S2

4-({[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)benzenesulfonamide

  • Molecular FormulaC13H13ClN4O3S2
  • Average mass372.850 Da
  • Monoisotopic mass372.011749 Da
  • ChemSpider ID25058733

More details:

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

4-({[6-Chlor-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-({[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}methyl)benzenesulfonamide [ACD/IUPAC Name]
4-({[6-Chloro-5-formyl-2-(méthylsulfanyl)-4-pyrimidinyl]amino}méthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
Benzenesulfonamide, 4-[[[6-chloro-5-formyl-2-(methylthio)-4-pyrimidinyl]amino]methyl]- [ACD/Index Name]
JDR

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

Density: 1.6±0.1 g/cm3
Boiling Point: 624.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 74.21
ACD/KOC (pH 5.5): 759.46
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.05
ACD/KOC (pH 7.4): 757.80
Polar Surface Area: 149 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 236.8±5.0 cm3

Click to predict properties on the Chemicalize site


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