Molecular properties
- Formula
- C17H20N2O5S
- Molar mass
- 364.42 g·mol−1
- Exact mass
- 364.1093 Da
- 9
- PubChem CID
- 2471
Molecule record
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
C17H20N2O5S
364.42 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Ether
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 0Y2S3XUQ5H
- 28395-03-1
- 3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid
- 3-butylamino-4-phenoxy-5-sulfamoyl-benzoic acid
- BENZOIC ACID, 3-(BUTYLAMINO)-4-PHENOXY-5-SULFAMOYL-
- Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy-
- Betinex
- Bumetanida
Show all 24 synonyms
- Bumetanidum
- Bumethanide
- Bumex
- Burinex
- CHEBI:3213
- DTXCID702699
- DTXSID5022699
- Lixil
- PF 1593
- PF1593
- RO10-6338
- Ro 10-6338
- Ro-106338
- S-95008.
- S95008.
- bumetanide
Structure identifiers
- Canonical SMILES
- CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
- Isomeric SMILES
- CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
- 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)
- InChIKey
- MAEIEVLCKWDQJH-UHFFFAOYSA-N
- PubChem CID
- 2471
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.