Basic information
- Standard SMILES
O=S(=O)(Nc1cc(C(O)C2CC2)c(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1)c1ccc(Cl)cc1Cl- InChIKey
NITUNHYPZVYONT-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2N3O5S3
- Average molar mass
- 628.6 g/mol
Names & identifiers
- Preferred name
- 2,4-dichloro-N-{4-(cyclopropyl-hydroxy-methyl)-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide
- IUPAC
- 2,4-dichloro-N-[4-[cyclopropyl(hydroxy)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]benzenesulfonamide
Names & synonyms
SCHEMBL1269009NITUNHYPZVYONT-UHFFFAOYSA-N2,4-dichloro-N-{4-(cyclopropyl-hydroxy-methyl)-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 57718233
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
6 records
Compound notes
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