chempirical

Piretanide

C17H18N2O5SCAS 55837-27-9362.40 g/mol

Open in Covalent MOL file
NH2SOOOHONO
Carboxylic acidEtherSulfonamideTertiary amine

Properties

Molecular formula
C17H18N2O5S
Molar mass
362.40 g/mol
Exact mass
362.0936 Da
Melting point
225–227 °C
logP
2.42Crippen estimate
Polar surface area
109.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55837-27-9
SMILES
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
InChIKey
UJEWTUDSLQGTOA-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-
  • 3-(Aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)benzoic acid
  • HOE 118
  • Arelix
  • S 73-4118
  • Diumax
  • Tauliz
  • Eurelix
  • Arlix

Work with Piretanide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bumetanide28395-03-160 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-742 % similar 3-Phenoxybenzoic acid3739-38-642 % similar 3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid22892-96-241 % similar 4-Phenoxybenzoic acid2215-77-241 % similar 4-Carboxybenzenesulfonamide138-41-037 % similar 4-(1-Pyrrolidinyl)benzoic acid22090-27-337 % similar 4-Piperidin-1-yl-benzoic acid22090-24-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook