ChemSpider 2D Image | 4-{[4-{[(1R,2R)-2-(Dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-N-methylbenzenesulfonamide | C19H25F3N6O2S

4-{[4-{[(1R,2R)-2-(Dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-N-methylbenzenesulfonamide

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID23332536
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-{[4-{[(1R,2R)-2-(Dimethylamino)cyclopentyl]amino}-5-(trifluormethyl)-2-pyrimidinyl]amino}-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-{[4-{[(1R,2R)-2-(Dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-N-methylbenzenesulfonamide [ACD/IUPAC Name]
4-{[4-{[(1R,2R)-2-(Diméthylamino)cyclopentyl]amino}-5-(trifluorométhyl)-2-pyrimidinyl]amino}-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
Benzenesulfonamide, 4-[[4-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-N-methyl- [ACD/Index Name]
4-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-N-methylbenzenesulfonamide
4-[(4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]-N-methylbenzene-1-sulfonamide
4-[(4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
CHEMBL509485
P1E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 603.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 13.52
Polar Surface Area: 108 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

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