2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,6-dichloro-3,4-dihydro-3-(phenylmethyl)-, 1,1-dioxide
Basic information
- CAS
32586-76-8- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(Cl)(Cc1ccccc1)NS2(=O)=O- InChIKey
PHHILWGNCGEKHB-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N3O4S2
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 420.9724536
Names & identifiers
- Preferred name
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,6-dichloro-3,4-dihydro-3-(phenylmethyl)-, 1,1-dioxide
- IUPAC
- 3-benzyl-3,6-dichloro-1,1-dioxo-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- Benzyldihydrochlorothiazide
- Molecular formula
- C14H13Cl2N3O4S2
- Molecular weight
- 422.31
Names & synonyms
32586-76-8RefChem:10649582H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,6-dichloro-3,4-dihydro-3-(phenylmethyl)-, 1,1-dioxideBenzyldihydrochlorothiazide2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3,6-dichloro-3-(phenylmethyl)-, 1,1-dioxideDTXSID909543063-Benzyl-3,6-dichloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamideHydrochlorothiazide Impurity 46
Database identifiers
- CAS
32586-76-8- PubChem CID
- 208607
- DTXSID
DTXSID90954306
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Boiling point
- 644.4 · 644.4±65.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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