ChemSpider 2D Image | N-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)phenyl]methanesulfonamide | C18H16ClN5O4S

N-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)phenyl]methanesulfonamide

  • Molecular FormulaC18H16ClN5O4S
  • Average mass433.869 Da
  • Monoisotopic mass433.061157 Da
  • ChemSpider ID24706946

More details:

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

Methanesulfonamide, N-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
N-[3-({4-[(5-Chlor-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)phenyl]methansulfonamid [German] [ACD/IUPAC Name]
N-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)phenyl]methanesulfonamide [ACD/IUPAC Name]
N-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)phényl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
7X6
945393-85-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496574/
N-[3-({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)phenyl]methanesulfonamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 83.45
ACD/KOC (pH 5.5): 769.74
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 87.67
ACD/KOC (pH 7.4): 808.64
Polar Surface Area: 123 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 81.3±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

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