ChemSpider 2D Image | N-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-N-(4-isopropylphenyl)benzenesulfonamide | C29H33N3O5S

N-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-N-(4-isopropylphenyl)benzenesulfonamide

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID3016711

More details:

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

Benzenesulfonamide, N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-[4-(propan-2-yl)phenyl]benzenesulfonamide
N-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-N-(4-isopropylphenyl)benzenesulfonamide [ACD/IUPAC Name]
N-{2-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-oxoéthyl}-N-(4-isopropylphényl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-N-(4-isopropylphenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-{2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(4-isopropylphenyl)benzenesulfonamide
N-{2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(4-isopropylphenyl)benzenesulfonamide
N-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-benzenesulfonamide
N-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-[4-(propan-2-yl)phenyl]benzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.2±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 273.67
ACD/KOC (pH 5.5): 1600.16
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.55
ACD/KOC (pH 7.4): 3072.99
Polar Surface Area: 88 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 411.4±3.0 cm3

Click to predict properties on the Chemicalize site


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