ChemSpider 2D Image | 4-Bromo-N-{3-[(methylsulfonyl)amino]benzyl}-1H-pyrrole-2-carboxamide | C13H14BrN3O3S

4-Bromo-N-{3-[(methylsulfonyl)amino]benzyl}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC13H14BrN3O3S
  • Average mass372.238 Da
  • Monoisotopic mass370.993927 Da
  • ChemSpider ID30604752

More details:

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

1H-Pyrrole-2-carboxamide, 4-bromo-N-[[3-[(methylsulfonyl)amino]phenyl]methyl]- [ACD/Index Name]
4-Brom-N-{3-[(methylsulfonyl)amino]benzyl}-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-N-{3-[(methylsulfonyl)amino]benzyl}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Bromo-N-{3-[(méthylsulfonyl)amino]benzyl}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.73
ACD/KOC (pH 5.5): 214.94
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 201.13
Polar Surface Area: 99 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 225.5±3.0 cm3

Click to predict properties on the Chemicalize site


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