ChemSpider 2D Image | N,N-Diethyl-3-nitro-4-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)acetyl]-1-piperazinyl}benzenesulfonamide | C22H32N6O5S

N,N-Diethyl-3-nitro-4-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)acetyl]-1-piperazinyl}benzenesulfonamide

  • Molecular FormulaC22H32N6O5S
  • Average mass492.592 Da
  • Monoisotopic mass492.215485 Da
  • ChemSpider ID22088383

More details:

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

Benzenesulfonamide, N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetyl]-1-piperazinyl]- [ACD/Index Name]
N,N-Diethyl-3-nitro-4-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)acetyl]-1-piperazinyl}benzenesulfonamide [ACD/IUPAC Name]
N,N-Diethyl-3-nitro-4-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)acetyl]-1-piperazinyl}benzolsulfonamid [German] [ACD/IUPAC Name]
N,N-Diéthyl-3-nitro-4-{4-[2-(1,3,5-triméthyl-1H-pyrazol-4-yl)acétyl]-1-pipérazinyl}benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.32
ACD/KOC (pH 5.5): 845.17
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.68
ACD/KOC (pH 7.4): 848.70
Polar Surface Area: 133 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 367.3±7.0 cm3

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