ChemSpider 2D Image | 4-{[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | C12H13N5O5S

4-{[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]methyl}benzenesulfonamide

  • Molecular FormulaC12H13N5O5S
  • Average mass339.327 Da
  • Monoisotopic mass339.063751 Da
  • ChemSpider ID25057881

More details:

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

4-{[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]methyl}benzenesulfonamide [ACD/IUPAC Name]
4-{[(6-Méthoxy-5-nitro-4-pyrimidinyl)amino]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Benzenesulfonamide, 4-[[(6-methoxy-5-nitro-4-pyrimidinyl)amino]methyl]- [ACD/Index 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: 621.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.51
ACD/KOC (pH 5.5): 174.45
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.49
ACD/KOC (pH 7.4): 174.09
Polar Surface Area: 161 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 220.8±3.0 cm3

Click to predict properties on the Chemicalize site


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