ChemSpider 2D Image | N-Methyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide | C22H21F3N6O3S

N-Methyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID23332455

More details:

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

Methanesulfonamide, N-[2-[[[2-[(2,3-dihydro-1-oxo-1H-isoindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl- [ACD/Index Name]
N-Methyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluormethyl)-4-pyrimidinyl}amino)methyl]phenyl}methansulfonamid [German] [ACD/IUPAC Name]
N-Methyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluorométhyl)-4-pyrimidinyl}amino)méthyl]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
CHEMBL487229
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487229/
N-methyl-N-(2-((2-(1-oxoisoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
N-methyl-N-{2-[({2-[(1-oxo-2,3-dihydro-1H-isoindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.10
ACD/KOC (pH 5.5): 494.99
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.85
ACD/KOC (pH 7.4): 503.92
Polar Surface Area: 125 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


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