Basic information
- CAS
1580-83-2- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccc(F)cc1)NS2(=O)=O- InChIKey
JDCJFONQCRLHND-UHFFFAOYSA-N- Molecular formula
- C14H13ClFN3O4S2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.0020041
Overview
Paraflutizide is a benzothiadiazine sulfonamide belonging to the class of the thiazide diuretics.
Names & identifiers
- Preferred name
- Paraflutizide
- IUPAC
- 6-chloro-3-[(4-fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- paraflutizide
- Molecular formula
- C14H13ClFN3O4S2
- Molecular weight
- 405.85
Names & synonyms
Paraflutizide1580-83-2ParaflutizidaParaflutizidumLD 361253A5V9FGN9LD3612LD-3612DTXSID9010216306-Chloro-3-(p-fluorobenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide, 1,1-dioxideRefChem:928582DTXCID601506639
Show more names
6-Chloro-3-(p-fluorobenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide6-chloro-3-(4-fluorobenzyl)-1,1-diketo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide6-chloro-3-[(4-fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[(4-fluorophenyl)methyl]-3,4-dihydro-, 1,1-dioxide
216-426-7Paraflutizide, (+)-Paraflutizide, (-)-DUG5QUS9KXX2JDK22AC56-Chloro-3,4-dihydro-3-(p-fluorobenzyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideParaflutizide [INN:DCF]Paraflutizidum [INN-Latin]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Melting point
- 238 · 238-240°
- Boiling point
- 636.2 · 636.2±65.0 °C(Predicted)
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.40(Predicted)
- FDA UNII
- 53 A5V9FGN9 · 53A5V9FGN9
- Toxicity
- 50 oral · LD50 oral in mouse: > 10gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: > 10gm/kg
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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