Found 121 results

Search term: MF = 'C_{18}H_{26}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | 3-(Methylsulfonyl)-N-{2-oxo-2-[(2R)-2-(1-piperazinylcarbonyl)-1-pyrrolidinyl]ethyl}benzenesulfonamide | C18H26N4O6S2

3-(Methylsulfonyl)-N-{2-oxo-2-[(2R)-2-(1-piperazinylcarbonyl)-1-pyrrolidinyl]ethyl}benzenesulfonamide

  • Molecular FormulaC18H26N4O6S2
  • Average mass458.552 Da
  • Monoisotopic mass458.129364 Da
  • ChemSpider ID84423265

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Methylsulfonyl)-N-{2-oxo-2-[(2R)-2-(1-piperazinylcarbonyl)-1-pyrrolidinyl]ethyl}benzenesulfonamide [ACD/IUPAC Name]
3-(Méthylsulfonyl)-N-{2-oxo-2-[(2R)-2-(1-pipérazinylcarbonyl)-1-pyrrolidinyl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
3-(Methylsulfonyl)-N-{2-oxo-2-[(2R)-2-(1-piperazinylcarbonyl)-1-pyrrolidinyl]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-(methylsulfonyl)-N-[2-oxo-2-[(2R)-2-(1-piperazinylcarbonyl)-1-pyrrolidinyl]ethyl]- [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: 775.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.9±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 150 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

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