Bumetanide

C17H20N2O5SCAS 28395-03-1364.42 g/mol

Open in Covalent MOL file
HNOHOSNH2OOO
Carboxylic acidEtherSecondary amineSulfonamide

Properties

Molecular formula
C17H20N2O5S
Molar mass
364.42 g/mol
Exact mass
364.1093 Da
Melting point
230.5 °C
pKa
3.83
logP
3.04Crippen estimate
Polar surface area
118.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28395-03-1
SMILES
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
InChIKey
MAEIEVLCKWDQJH-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)

Weigh it out

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Names and synonyms

16 names · show all
  • Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy-
  • Benzoic acid, 3-(butylamino)-4-phenoxy-5-sulfamoyl-
  • 3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid
  • 3-n-Butylamino-4-phenoxy-5-sulfamoylbenzoic acid
  • 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
  • Burinex
  • Lunetoron
  • Bufenox
  • Fordiuran
  • Bumethanide
  • PF 1593
  • Bumex
  • Lixil
  • Fontego
  • Ro 10-6338
  • Edemex

Work with Bumetanide

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

Piretanide55837-27-960 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-739 % similar 3-Phenoxybenzoic acid3739-38-638 % similar 4-Phenoxybenzoic acid2215-77-238 % similar 3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid22892-96-236 % similar 4-Butylbenzoic acid20651-71-236 % similar 4-Butoxybenzoic acid1498-96-035 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook