ChemSpider 2D Image | N-{2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}-2-propanesulfonamide | C28H37ClN6O3S

N-{2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}-2-propanesulfonamide

  • Molecular FormulaC28H37ClN6O3S
  • Average mass573.150 Da
  • Monoisotopic mass572.233643 Da
  • ChemSpider ID31150572

More details:






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

2-Propanesulfonamide, N-[2-[[5-chloro-2-[[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
N-{2-[(5-Chlor-2-{[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}-2-propansulfonamid [German] [ACD/IUPAC Name]
N-{2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}-2-propanesulfonamide [ACD/IUPAC Name]
N-{2-[(5-Chloro-2-{[2-isopropoxy-5-méthyl-4-(4-pipéridinyl)phényl]amino}-4-pyrimidinyl)amino]phényl}-2-propanesulfonamide [French] [ACD/IUPAC Name]
ceritinib; ceritinibum
céritinib; N-{2-[(5-chloro-2-{[2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propane-2-sulfonamide
ceritinibum
N-{2-[(5-chloro-2-{[2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propane-2-sulfonamide
N-{2-[(5-chloro-2-{[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propane-2-sulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 707.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 12.22
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 11.97
ACD/KOC (pH 7.4): 37.17
Polar Surface Area: 126 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 444.7±3.0 cm3

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