1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

C17H18ClN3O3S — CID 6471889

IUPAC1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22)
InChIKeyAXBNIXKDWLXOEY-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 6471889) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID6471889
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22)
InChIKeyAXBNIXKDWLXOEY-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
CID 4879904
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 5137553
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
[(4-Chlorophenyl)sulfonyl]-4-pyridylamine
CID 674932
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6462258
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
(E)-2-(4-chlorophenyl)-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11294750
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 44444075
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651826
4-[(4-Chloro-benzenesulfonyl)-methyl-amino]-N-pyridin-4-yl-butyramide
CID 654714
1-[(2,5-dichlorophenyl)sulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
CID 1078712

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (CID 6471889) is 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is AXBNIXKDWLXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 6471889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).