ChemSpider 2D Image | N~3~-[(4-Chlorophenyl)sulfonyl]-N-{4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}-beta-alaninamide | C20H20ClN5O5S2

N3-[(4-Chlorophenyl)sulfonyl]-N-{4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}-β-alaninamide

  • Molecular FormulaC20H20ClN5O5S2
  • Average mass509.986 Da
  • Monoisotopic mass509.059448 Da
  • ChemSpider ID68677892

More details:

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

N3-[(4-Chlorophenyl)sulfonyl]-N-{4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}-β-alaninamide [ACD/IUPAC Name]
N3-[(4-Chlorophényl)sulfonyl]-N-{4-[(4-méthyl-2-pyrimidinyl)sulfamoyl]phényl}-β-alaninamide [French] [ACD/IUPAC Name]
N3-[(4-Chlorphenyl)sulfonyl]-N-{4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}-β-alaninamid [German] [ACD/IUPAC Name]
Propanamide, 3-[[(4-chlorophenyl)sulfonyl]amino]-N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- [ACD/Index Name]
3-(4-CHLOROBENZENESULFONAMIDO)-N-{4-[(4-METHYLPYRIMIDIN-2-YL)SULFAMOYL]PHENYL}PROPANAMIDE

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: 1.654
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 30.74
ACD/KOC (pH 5.5): 398.70
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 88.89
Polar Surface Area: 164 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

Click to predict properties on the Chemicalize site


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