ChemSpider 2D Image | N-{3-[(Methylsulfonyl)amino]benzyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide | C13H15N5O5S

N-{3-[(Methylsulfonyl)amino]benzyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide

  • Molecular FormulaC13H15N5O5S
  • Average mass353.354 Da
  • Monoisotopic mass353.079376 Da
  • ChemSpider ID30526466

More details:

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

1H-Pyrazole-1-acetamide, N-[[3-[(methylsulfonyl)amino]phenyl]methyl]-4-nitro- [ACD/Index Name]
N-{3-[(Methylsulfonyl)amino]benzyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamid [German] [ACD/IUPAC Name]
N-{3-[(Methylsulfonyl)amino]benzyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide [ACD/IUPAC Name]
N-{3-[(Méthylsulfonyl)amino]benzyl}-2-(4-nitro-1H-pyrazol-1-yl)acétamide [French] [ACD/IUPAC Name]

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: 1.669
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.45
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 36.56
Polar Surface Area: 147 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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