ChemSpider 2D Image | N-(2-Aminoethyl)-2,4,5-trichloro-N-[2-({[(2E)-3-(4-chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]benzenesulfonamide | C25H25Cl4N3O2S

N-(2-Aminoethyl)-2,4,5-trichloro-N-[2-({[(2E)-3-(4-chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]benzenesulfonamide

  • Molecular FormulaC25H25Cl4N3O2S
  • Average mass573.362 Da
  • Monoisotopic mass571.042175 Da
  • ChemSpider ID4943914
  • Double-bond stereo - Double-bond stereo


More details:






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

Benzenesulfonamide, N-(2-aminoethyl)-2,4,5-trichloro-N-[2-[[[(2E)-3-(4-chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]- [ACD/Index Name]
N-(2-Aminoethyl)-2,4,5-trichlor-N-[2-({[(2E)-3-(4-chlorphenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-2,4,5-trichloro-N-[2-({[(2E)-3-(4-chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-2,4,5-trichloro-N-[2-({[(2E)-3-(4-chlorophényl)-2-propén-1-yl](méthyl)amino}méthyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
176181-81-0 [RN]
2-(N-(2-Aminoethyl)-N-(2,4,5-trichlorobenzenesulfonyl))amino-N-(4-chlorocinnamyl)-N-methylbenzylamine

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

HF 2035 [DBID]
HF-2035 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.7±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 2764.54
ACD/KOC (pH 7.4): 6052.16
Polar Surface Area: 75 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

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