Basic information
- CAS
1163-51-5- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(c1ccccc1)=NS2(=O)=O- InChIKey
PQZSAKDDBHCRCN-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O4S2
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 370.9801258
Names & identifiers
- Preferred name
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxide
- IUPAC
- 6-chloro-1,1-dioxo-3-phenyl-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Names & synonyms
3-Phenyl chlorothiazide1163-51-52H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxideDTXSID40151343RefChem:267634DTXCID90738346-Chloro-1,1-dioxo-3-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
Database identifiers
- CAS
1163-51-5- PubChem CID
- 70883
- DTXSID
DTXSID40151343
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 690
Experimental & physicochemical properties
LogP1.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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