1-(2-Chloro-5-nitrobenzene-1-sulfonyl)-N-(2,4-difluorophenyl)piperidine-4-carboximidic acid
Basic information
- CAS
5634-23-1- Standard SMILES
O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1- InChIKey
VJDGPLVPSKFMQS-UHFFFAOYSA-N- Molecular formula
- C18H16ClF2N3O5S
- Average molar mass
- 459.9 g/mol
- Monoisotopic mass
- 459.0467258
Names & identifiers
- Preferred name
- 1-(2-Chloro-5-nitrobenzene-1-sulfonyl)-N-(2,4-difluorophenyl)piperidine-4-carboximidic acid
- IUPAC
- 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
Names & synonyms
5634-23-1DTXSID80971769AKOS0341431311-(2-Chloro-5-nitrobenzene-1-sulfonyl)-N-(2,4-difluorophenyl)piperidine-4-carboximidic acidZ30802704
Database identifiers
- CAS
5634-23-1- PubChem CID
- 5227573
- DTXSID
DTXSID80971769
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 739
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Compound notes
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