ChemSpider 2D Image | N-{2-Methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl}methanesulfonamide | C18H18N4O2S

N-{2-Methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl}methanesulfonamide

  • Molecular FormulaC18H18N4O2S
  • Average mass354.426 Da
  • Monoisotopic mass354.115051 Da
  • ChemSpider ID23344674

More details:

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

N-{2-Methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-{2-Méthyl-5-[(6-phényl-4-pyrimidinyl)amino]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{2-Methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl}methansulfonamid [German] [ACD/IUPAC Name]
N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
5MS
aminopyrimidine, 5
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469117/
methanesulfonamide, N-[2-methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl]- [ACD/Index Name]
N-(2-methyl-5-(6-phenylpyrimidin-4-ylamino)phenyl)methanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 177.18
ACD/KOC (pH 5.5): 1368.36
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 182.58
ACD/KOC (pH 7.4): 1410.07
Polar Surface Area: 92 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

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