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Basic information
- Standard SMILES
O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
KWWCRWCSENEWLP-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3O6S3
- Average molar mass
- 602.5 g/mol
- Monoisotopic mass
- 600.9969543
Names & identifiers
- Preferred name
- 2-(2,4-Dichloro-benzenesulfonylamino)-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid
- IUPAC
- 2-[(2,4-dichlorophenyl)sulfonylamino]-5-(4-piperidin-1-ylsulfonylphenyl)sulfanylpyridine-4-carboxylic acid
Names & synonyms
SCHEMBL1268887KWWCRWCSENEWLP-UHFFFAOYSA-N2-(2,4-dichloro-benzenesulfonylamino)-5-[4-(piperidine-1-sulfonyl) -phenylsulfanyl]-isonicotinic acid2-(2,4-dichloro-benzenesulfonylamino)-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid
Database identifiers
- PubChem CID
- 57718203
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 992
Related reactions
6 records
Compound notes
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