Basic information
- Standard SMILES
COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccc(C)cc1S(N)(=O)=O- InChIKey
OVELXBOBYSFKET-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O5S2
- Average molar mass
- 418.9 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-Chloro-2-methoxy-phenyl)-ethanesulfonylamino]-5-methyl-benzenesulfonamide
- IUPAC
- 2-[2-(4-chloro-2-methoxyphenyl)ethylsulfonylamino]-5-methylbenzenesulfonamide
Names & synonyms
SCHEMBL3782425CHEMBL3960851OVELXBOBYSFKET-UHFFFAOYSA-NBDBM182002US9145380, 2052-[2-(4-Chloro-2-methoxy-phenyl)-ethanesulfonylamino]-5-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 57750899
- ChEMBL
CHEMBL3960851
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 659
Related reactions
1 records
Compound notes
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