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Basic information
- Standard SMILES
O=Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
ZQTOTXZDDHKSNA-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3O5S3
- Average molar mass
- 586.5 g/mol
- Monoisotopic mass
- 585.0020397
Names & identifiers
- Preferred name
- 2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide
- IUPAC
- 2,4-dichloro-N-[4-formyl-5-(4-piperidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]benzenesulfonamide
Names & synonyms
SCHEMBL1269613ZQTOTXZDDHKSNA-UHFFFAOYSA-N2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl) -phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 57718246
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 945
Related reactions
7 records
Compound notes
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