(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C18H20ClN3O3S — CID 30156165

IUPAC(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccn3)C2)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-2-3-14(12-22)18(23)21-17-11-15(19)8-9-20-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyOGJIGMOQDAZULZ-AWEZNQCLSA-N
MW393.90 g/mol
LogP3.08
Rot. Bonds4

About (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 30156165) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID30156165
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccn3)C2)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-2-3-14(12-22)18(23)21-17-11-15(19)8-9-20-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyOGJIGMOQDAZULZ-AWEZNQCLSA-N
XLogP3.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
(3S)-N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681811
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 43042471
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156324
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 30156165) is (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccn3)C2)cc1.
What is the InChIKey of (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OGJIGMOQDAZULZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-2-3-14(12-22)18(23)21-17-11-15(19)8-9-20-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 30156165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).