Benzoic acid, 4-[[(2,5-dichlorophenyl)sulfonyl]amino]-, methyl ester
Basic information
- CAS
88522-32-1- Standard SMILES
COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1- InChIKey
LSOUIHHZYUHAHB-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2NO4S
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 358.9785844
Names & identifiers
- Preferred name
- Benzoic acid, 4-[[(2,5-dichlorophenyl)sulfonyl]amino]-, methyl ester
- IUPAC
- methyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
Names & synonyms
88522-32-1Benzoic acid, 4-[[(2,5-dichlorophenyl)sulfonyl]amino]-, methyl esterDTXSID10399290AKOS001425893Methyl 4-(2,5-dichlorobenzene-1-sulfonamido)benzoateZ45637701
Database identifiers
- CAS
88522-32-1- PubChem CID
- 4098296
- DTXSID
DTXSID10399290
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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