ChemSpider 2D Image | 4-{2-[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]ethyl}benzenesulfonamide | C13H15N5O5S

4-{2-[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]ethyl}benzenesulfonamide

  • Molecular FormulaC13H15N5O5S
  • Average mass353.354 Da
  • Monoisotopic mass353.079376 Da
  • ChemSpider ID25058285

More details:

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

4-{2-[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]ethyl}benzenesulfonamide [ACD/IUPAC Name]
4-{2-[(6-Méthoxy-5-nitro-4-pyrimidinyl)amino]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{2-[(6-Methoxy-5-nitro-4-pyrimidinyl)amino]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Benzenesulfonamide, 4-[2-[(6-methoxy-5-nitro-4-pyrimidinyl)amino]ethyl]- [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: 658.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.63
ACD/KOC (pH 5.5): 249.03
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.60
ACD/KOC (pH 7.4): 248.61
Polar Surface Area: 161 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site


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