Basic information
- Standard SMILES
CCCC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
UGYCWUVEQNHFAK-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2N3O5S3
- Average molar mass
- 628.6 g/mol
Names & identifiers
- Preferred name
- N-{4-butyryl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro-benzenesulfonamide
- IUPAC
- N-[4-butanoyl-5-(4-piperidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]-2,4-dichlorobenzenesulfonamide
Names & synonyms
SCHEMBL1268585UGYCWUVEQNHFAK-UHFFFAOYSA-NN -{4-butyryl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro-benzenesulfonamideN-{4-butyryl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro -benzenesulfonamideN-{4-butyryl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-2,4-dichloro-benzenesulfonamide
Database identifiers
- PubChem CID
- 57718170
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
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
3 records
Compound notes
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