N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
Basic information
- CAS
797002-27-8- Standard SMILES
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC1- InChIKey
VATJKKKGKKBWMQ-UHFFFAOYSA-N- Molecular formula
- C17H24N2O3S
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.15076381
Names & identifiers
- Preferred name
- N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
- IUPAC
- N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
Names & synonyms
N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamideMLS002164695CHEMBL1734738DTXSID801332321HMS3052K12AKOS001276428797002-27-8SMR001247066Z30219410N-[3-(piperidine-1-sulfonyl)phenyl]cyclopentanecarboxamide
Database identifiers
- CAS
797002-27-8- PubChem CID
- 3934723
- DTXSID
DTXSID801332321- ChEMBL
CHEMBL1734738
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility41.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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