N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide

C18H20ClN3O3S — CID 11639788

IUPACN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C18H20ClN3O3S/c1-13-15(19)7-4-9-17(13)26(24,25)22-11-5-6-14(12-22)21-18(23)16-8-2-3-10-20-16/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyJTEKRQJIQOPKMB-AWEZNQCLSA-N
MW393.90 g/mol
LogP2.63
Rot. Bonds4

About N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide

N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide (PubChem CID 11639788) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
PubChem CID11639788
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C18H20ClN3O3S/c1-13-15(19)7-4-9-17(13)26(24,25)22-11-5-6-14(12-22)21-18(23)16-8-2-3-10-20-16/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyJTEKRQJIQOPKMB-AWEZNQCLSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 11618123
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
CID 11611555
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 68933615
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257105
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 58702041
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide (CID 11639788) is N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1.
What is the InChIKey of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is JTEKRQJIQOPKMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-15(19)7-4-9-17(13)26(24,25)22-11-5-6-14(12-22)21-18(23)16-8-2-3-10-20-16/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide?
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).