Basic information
- CAS
1766-91-2- Standard SMILES
CCCCCC1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1- InChIKey
AKHXXQAIVSMYIS-UHFFFAOYSA-N- Molecular formula
- C13H18F3N3O4S2
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.0690829
Overview
Penflutizide is a benzothiadiazine sulfonamide belonging to the class of the thiazide diuretics.
Names & identifiers
- Preferred name
- Penflutizide
- IUPAC
- 1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- penflutizide
- Molecular formula
- C13H18F3N3O4S2
- Molecular weight
- 401.42
Names & synonyms
penflutizide1766-91-2PentylhydroflumethiazidePenflutizidaPenfluzidePenflutizidumDTXSID304881591NGD0O6FZFT-124DTXCID0028741RefChem:9287303-n-pentyl-6-trifluoromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
Show more names
FT 124(+-)-Pentflutizide3-Pentyl-6-trifluoromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide2,3-Dihydro-3-pentyl-6-trifluoromethyl-7-sulfamoyl-4H-1,2,4-benzothiadiazine 1,1-dioxide3-Pentyl-6-trifluoromethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide3-amyl-1,1-diketo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
217-186-63-Pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamideNCGC00183012-013,4-Dihydro-3-pentyl-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxidePenflutizide [INN:JAN]Penflutizidum [INN-Latin]Penflutizida [INN-Spanish]
Database identifiers
- CAS
1766-91-2- PubChem CID
- 4726
- DTXSID
DTXSID3048815- ChEMBL
CHEMBL2107203- UNII
- 91NGD0O6FZ
- EC Number
- 217-186-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 670
Experimental & physicochemical properties
LogP2.66
Physicochemical properties
- Boiling point
- 547.4 · 547.4±60.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 8.8 · 8.80±0.40(Predicted)
- FDA UNII
- 91 NGD0O6FZ · 91NGD0O6FZ
Chemistry & industry
Suppliers6 total
LIDE PHARMACEUTICALS LIMITED+852-55945652 · [email protected]
西安奕诺生物科技有限公司18809207782 18809207782 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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