Piretanide

Status : experimental

Therapeutic Classification

HIGH-CEILING DIURETICS

CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS

Chemical Classification

This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Diphenylethers

Organic compounds

Benzenoids

Benzene and substituted derivatives

Diphenylethers

Calculated Property

kind Value Source
logP 2.2 ALOGPS
logS -3.6 ALOGPS
Water Solubility 9.14e-02 g/l ALOGPS
logP 2.25 ChemAxon
IUPAC Name 4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid ChemAxon
Traditional IUPAC Name piretanide ChemAxon
Molecular Weight 362.4 ChemAxon
Monoisotopic Weight 362.093642386 ChemAxon
SMILES NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O ChemAxon
Molecular Formula C17H18N2O5S ChemAxon
InChI InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) ChemAxon
InChIKey InChIKey=UJEWTUDSLQGTOA-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 109.93 ChemAxon
Refractivity 93.68 ChemAxon
Polarizability 35.85 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.68 ChemAxon
pKa (strongest basic) -0.62 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Solute carrier family 12 member 1 : in Human