1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C18H20ClN3O3S — CID 649951

IUPAC1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-7-17(8-6-16)26(24,25)22-10-2-4-15(13-22)18(23)21-12-14-3-1-9-20-11-14/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyFKXJJWRCFAZTFM-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 649951) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID649951
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-7-17(8-6-16)26(24,25)22-10-2-4-15(13-22)18(23)21-12-14-3-1-9-20-11-14/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyFKXJJWRCFAZTFM-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoate
CID 23673433
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 3361061
1-((4-chlorophenyl)sulfonyl)-N-(pyridin-3-yl)piperidine-4-carboxamide
CID 6462258
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 44444075
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444077
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
N-(Pyridin-3-ylmethyl)-1-tosylpiperidine-4-carboxamide
CID 1077698

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 649951) is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FKXJJWRCFAZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-5-7-17(8-6-16)26(24,25)22-10-2-4-15(13-22)18(23)21-12-14-3-1-9-20-11-14/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.45, 5 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-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 649951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).