ChemSpider 2D Image | 3,4-Dichloro-N-(4-{[6-(diethylamino)-2-methyl-4-pyrimidinyl]amino}phenyl)benzenesulfonamide | C21H23Cl2N5O2S

3,4-Dichloro-N-(4-{[6-(diethylamino)-2-methyl-4-pyrimidinyl]amino}phenyl)benzenesulfonamide

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID29022073

More details:

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

3,4-Dichlor-N-(4-{[6-(diethylamino)-2-methyl-4-pyrimidinyl]amino}phenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-(4-{[6-(diethylamino)-2-methyl-4-pyrimidinyl]amino}phenyl)benzenesulfonamide [ACD/IUPAC Name]
3,4-Dichloro-N-(4-{[6-(diéthylamino)-2-méthyl-4-pyrimidinyl]amino}phényl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3,4-dichloro-N-[4-[[6-(diethylamino)-2-methyl-4-pyrimidinyl]amino]phenyl]- [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: 638.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.9±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 2975.98
ACD/KOC (pH 5.5): 7718.13
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 5425.09
ACD/KOC (pH 7.4): 14069.86
Polar Surface Area: 96 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

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