ChemSpider 2D Image | 5-Chloro-3-{[3-(3-hydroxy-1-piperidinyl)propyl]sulfamoyl}-2-thiophenecarboxylic acid | C13H19ClN2O5S2

5-Chloro-3-{[3-(3-hydroxy-1-piperidinyl)propyl]sulfamoyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC13H19ClN2O5S2
  • Average mass382.883 Da
  • Monoisotopic mass382.042389 Da
  • ChemSpider ID59711997

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-3-[[[3-(3-hydroxy-1-piperidinyl)propyl]amino]sulfonyl]- [ACD/Index Name]
5-Chlor-3-{[3-(3-hydroxy-1-piperidinyl)propyl]sulfamoyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-{[3-(3-hydroxy-1-piperidinyl)propyl]sulfamoyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-{[3-(3-hydroxy-1-pipéridinyl)propyl]sulfamoyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
5-chloro-3-({[3-(3-hydroxypiperidin-1-yl)propyl]amino}sulfonyl)thiophene-2-carboxylic acid
5-CHLORO-3-{[3-(3-HYDROXYPIPERIDIN-1-YL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

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