ChemSpider 2D Image | 4-{2-[(6-Chloro-5-nitro-4-pyrimidinyl)amino]ethyl}benzenesulfonamide | C12H12ClN5O4S

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

  • Molecular FormulaC12H12ClN5O4S
  • Average mass357.773 Da
  • Monoisotopic mass357.029846 Da
  • ChemSpider ID26327025

More details:






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

4-{2-[(6-Chlor-5-nitro-4-pyrimidinyl)amino]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{2-[(6-Chloro-5-nitro-4-pyrimidinyl)amino]ethyl}benzenesulfonamide [ACD/IUPAC Name]
4-{2-[(6-Chloro-5-nitro-4-pyrimidinyl)amino]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Benzenesulfonamide, 4-[2-[(6-chloro-5-nitro-4-pyrimidinyl)amino]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 650.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.96
ACD/KOC (pH 5.5): 470.03
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.90
ACD/KOC (pH 7.4): 469.20
Polar Surface Area: 152 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

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