Found 1 result

Search term: 113844-99-8 (Found by synonym)
ChemSpider 2D Image | 3-({3-[(Isopropylcarbamoyl)sulfamoyl]-4-pyridinyl}amino)benzoic acid | C16H18N4O5S

3-({3-[(Isopropylcarbamoyl)sulfamoyl]-4-pyridinyl}amino)benzoic acid

  • Molecular FormulaC16H18N4O5S
  • Average mass378.403 Da
  • Monoisotopic mass378.099792 Da
  • ChemSpider ID48062317

More details:

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

3-({3-[(Isopropylcarbamoyl)sulfamoyl]-4-pyridinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-({3-[(Isopropylcarbamoyl)sulfamoyl]-4-pyridinyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-({3-[(isopropylcarbamoyl)sulfamoyl]-4-pyridinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-[[[[(1-methylethyl)amino]carbonyl]amino]sulfonyl]-4-pyridinyl]amino]- [ACD/Index Name]
113844-99-8 [RN]
3-({3-[(propan-2-ylcarbamoyl)sulfamoyl]pyridin-4-yl}amino)benzoic acid
3-[[3-(propan-2-ylcarbamoylsulfamoyl)pyridin-4-yl]amino]benzoic acid
3-[[3-[[[(isopropylamino)carbonyl]amino]sulfonyl]pyridine-4-yl]amino]benzoic acid
3'-carboxy torasemide
N-(isopropylcarbamoyl)-4-(3-carboxyphenylamino)-3-pyridinesulfonamide
More...
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid resulting from the replacement of the 3'-methyl group of the phenyl ring of torasemide by a carboxy group. It is a metabolite of torasemide. ChEBI CHEBI:155916

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.93
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 267.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement