Basic information
- CAS
36782-10-2- Standard SMILES
O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1c(O)c(Cl)cc(Cl)c1Cl- InChIKey
BRIBVGQUGLPPAX-UHFFFAOYSA-N- Molecular formula
- C12H5Cl6NO3S
- Average molar mass
- 455.9 g/mol
- Monoisotopic mass
- 452.81213
Names & identifiers
- Preferred name
- Benzenesulfonanilide, 2',3,4',5,5',6-hexachloro-2-hydroxy-
- IUPAC
- 2,3,5-trichloro-6-hydroxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
- English name
- Benzenesulfonanilide, 2',3,4',5,5',6-hexachloro-2-hydroxy-
- Molecular formula
- C12H5Cl6NO3S
- Molecular weight
- 455.956
Names & synonyms
Benzenesulfonanilide, 2',3,4',5,5',6-hexachloro-2-hydroxy-RefChem:107870336782-10-2Benzenesulfonamide, 2,3,5-trichloro-6-hydroxy-N-(2,4,5-trichlorophenyl)-SCHEMBL116531392',3,4',5,5',6-Hexachloro-2-hydroxybenzenesulfonanilideDTXSID509580022-hydroxy-2',3,4',5,5',6-hexachlorobenzene-sulfonanilide2,3,5-Trichloro-6-hydroxy-N-(2,4,5-trichlorophenyl)benzene-1-sulfonamide2-Hydroxy-2',3,4',5,5',6-hexachlorobenzenesulfonanilide
Database identifiers
- CAS
36782-10-2- PubChem CID
- 215901
- DTXSID
DTXSID50958002
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
Experimental & physicochemical properties
LogP4.36
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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