ChemSpider 2D Image | 2-{[5-Chloro-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4-pyrimidinyl]amino}-N-isopropylbenzenesulfonamide | C25H32ClN7O3S

2-{[5-Chloro-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4-pyrimidinyl]amino}-N-isopropylbenzenesulfonamide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID61715561

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(E)-[5-Chlor-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4(3H)-pyrimidinyliden]amino}-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-{(E)-[5-Chloro-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4(3H)-pyrimidinylidene]amino}-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
2-{(E)-[5-Chloro-2-({2-méthoxy-4-[(3R)-3-(méthylamino)-1-pyrrolidinyl]phényl}amino)-4(3H)-pyrimidinylidène]amino}-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
2-{[5-Chlor-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4-pyrimidinyl]amino}-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-{[5-Chloro-2-({2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl}amino)-4-pyrimidinyl]amino}-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
2-{[5-Chloro-2-({2-méthoxy-4-[(3R)-3-(méthylamino)-1-pyrrolidinyl]phényl}amino)-4-pyrimidinyl]amino}-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[(4E)-5-chloro-2-[[2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl]amino]-4(3H)-pyrimidinylidene]amino]-N-(1-methylethyl)- [ACD/Index Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl]amino]-4-pyrimidinyl]amino]-N-(1-methylethyl)- [ACD/Index Name]
2-{[5-Chloro-2-({(1e,4r)-2-Methoxy-4-[(3r)-3-(Methylamino)pyrrolidin-1-Yl]cyclohexa-2,5-Dien-1-Ylidene}amino)pyrimidin-4-Yl]amino}-N-(1-Methylethyl)benzenesulfonamide
BII

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.89
Polar Surface Area: 128 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 392.1±7.0 cm3

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