ChemSpider 2D Image | 3-({5-Cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzenesulfonamide | C16H15N7O2S2

3-({5-Cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzenesulfonamide

  • Molecular FormulaC16H15N7O2S2
  • Average mass401.466 Da
  • Monoisotopic mass401.072876 Da
  • ChemSpider ID29398203

More details:

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

3-({5-Cyan-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
3-({5-Cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzenesulfonamide [ACD/IUPAC Name]
3-({5-Cyano-4-[4-méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
3-[[5-Cyano-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidin-2-Yl]amino]benzenesulfonamide
Benzenesulfonamide, 3-[[5-cyano-4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-pyrimidinyl]amino]- [ACD/Index Name]
T3E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 719.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.9±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 118.83
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.55
ACD/KOC (pH 7.4): 118.65
Polar Surface Area: 183 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

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