ChemSpider 2D Image | 4-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy}-3-chloro-N-isopropylbenzenesulfonamide | C23H28ClN3O6S

4-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy}-3-chloro-N-isopropylbenzenesulfonamide

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID2239471

More details:

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

4-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy}-3-chlor-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-{2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy}-3-chloro-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
4-{2-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-oxoéthoxy}-3-chloro-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy]-3-chloro-N-(1-methylethyl)- [ACD/Index Name]

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

MLS000531220 [DBID]
SMR000136198 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 67.29
ACD/KOC (pH 5.5): 591.67
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.19
ACD/KOC (pH 7.4): 1100.74
Polar Surface Area: 106 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

Click to predict properties on the Chemicalize site


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