ChemSpider 2D Image | N-[(N-Carbamoylcarbamimidoyl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide | C12H14F3N5O4S

N-[(N-Carbamoylcarbamimidoyl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide

  • Molecular FormulaC12H14F3N5O4S
  • Average mass381.331 Da
  • Monoisotopic mass381.071869 Da
  • ChemSpider ID27470956

More details:






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

Benzenesulfonamide, N-[[[[(aminocarbonyl)amino]iminomethyl]amino]carbonyl]-2-(3,3,3-trifluoropropyl)- [ACD/Index Name]
N-(N-Carbamoylcarbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide
N-(N'-Carbamoylguanidinocarbonyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide
N-[(N-Carbamoylcarbamimidoyl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide [ACD/IUPAC Name]
N-[(N-Carbamoylcarbamimidoyl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[(N-Carbamoylcarbamimidoyl)carbamoyl]-2-(3,3,3-trifluorpropyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-[[[[(Aminocarbonyl)amino]iminomethyl]amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
ZVMYUM&MVMSWR B2XFFF [WLN]
SYN-524604

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 233.9±7.0 cm3

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