ChemSpider 2D Image | 4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-pyridinesulfonamide | C16H20N4O4S

4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-pyridinesulfonamide

  • Molecular FormulaC16H20N4O4S
  • Average mass364.419 Da
  • Monoisotopic mass364.120514 Da
  • ChemSpider ID29790247

More details:

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

3-Pyridinesulfonamide, 4-[[3-(hydroxymethyl)phenyl]amino]-N-[[(1-methylethyl)amino]carbonyl]- [ACD/Index Name]
4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-pyridinesulfonamide [ACD/IUPAC Name]
4-{[3-(Hydroxyméthyl)phényl]amino}-N-(isopropylcarbamoyl)-3-pyridinesulfonamide [French] [ACD/IUPAC Name]
4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
1-(4-{[3-(hydroxymethyl)phenyl]amino}pyridin-3-ylsulfonyl)-3-isopropylurea
1-[(4-{[3-(hydroxymethyl)phenyl]amino}pyridin-3-yl)sulfonyl]-3-(propan-2-yl)urea
1-[[4-[3-(hydroxymethyl)anilino]-3-pyridyl]sulfonyl]-3-isopropylurea
1-[4-[3-(hydroxymethyl)anilino]pyridin-3-yl]sulfonyl-3-propan-2-ylurea
1329613-35-5 [RN]
4-[[3-(Hydroxymethyl)phenyl]amino]-N-[[(1-methylethyl)amino]carbonyl]-3-pyridinesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      An aromatic primary alcohol resulting from the hydroxylation of the 3'-methyl group of the phenyl ring of torasemide. It is a metabolite of torasemide. ChEBI CHEBI:155897

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: 1.615
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.96
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 129 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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