ChemSpider 2D Image | 4-[(2-{3-[2-(Methylamino)propyl]-1,2,4-oxadiazol-5-yl}ethyl)amino]-3-nitrobenzenesulfonamide | C14H20N6O5S

4-[(2-{3-[2-(Methylamino)propyl]-1,2,4-oxadiazol-5-yl}ethyl)amino]-3-nitrobenzenesulfonamide

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID63671390

More details:

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

4-[(2-{3-[2-(Methylamino)propyl]-1,2,4-oxadiazol-5-yl}ethyl)amino]-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
4-[(2-{3-[2-(Méthylamino)propyl]-1,2,4-oxadiazol-5-yl}éthyl)amino]-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-[(2-{3-[2-(Methylamino)propyl]-1,2,4-oxadiazol-5-yl}ethyl)amino]-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 271.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement