Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC- InChIKey
HVSMLPFOMULKPC-UHFFFAOYSA-N- Molecular formula
- C21H17Cl2NO5S
- Average molar mass
- 466.3 g/mol
- Monoisotopic mass
- 465.0204492
Names & identifiers
- Preferred name
- N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamide
- IUPAC
- N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
Names & synonyms
140916-61-6N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamideN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzenesulfonamideHVSMLPFOMULKPC-UHFFFAOYSA-NRelcovaptan Impurity 1SCHEMBL2536261DB-159021AP-372/406620482',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido) benzophenone2',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido)-benzophenone2',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido)benzophenonen-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzene sulfonamide
Database identifiers
- PubChem CID
- 985426
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 685
Related reactions
12 records
Compound notes
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