Basic information
- Standard SMILES
CCCC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1- InChIKey
ZPEMAHSXSIIBHU-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O5S3
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- n-{6-Butyryl-5-[4-(pyrrolidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro-benzenesulfonamide
- IUPAC
- N-[6-butanoyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]-2,4-dichlorobenzenesulfonamide
Names & synonyms
SCHEMBL1268503ZPEMAHSXSIIBHU-UHFFFAOYSA-Nn-{6-butyryl-5-[4-(pyrrolidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro-benzenesulfonamide
Database identifiers
- PubChem CID
- 57718228
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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