Chemical Properties of furosemide

InChI

InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)

InChI Key

ZZUFCTLCJUWOSV-UHFFFAOYSA-N

Formula

C12H11ClN2O5S

SMILES

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

Molecular Weight¹

330.75

Other Names

• 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoic acid

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-4.23; -3.78]
log10WS	-3.78		Aq. Solubility Prediction
log10WS	-4.23		Aq. Solubility Prediction
logPoct/wat	1.891		Crippen Calculated Property
McVol	210.320	ml/mol	McGowan Calculated Property
Tfus	[496.79; 496.79]	K
Tfus	496.79	K	Aq. Solubility Prediction
Tfus	496.79	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to furosemide.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Phase solubility studies of poorly soluble drug molecules by using O-phosphorylated calixarenes as drug solubilizing agents
• Aqueous Solubility Prediction Method
• Aqueous Solubility Prediction Method
• McGowan Method

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