N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide

C18H20ClN3O3S — CID 11618123

IUPACN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O3S/c1-13-16(19)5-2-6-17(13)26(24,25)22-11-3-4-15(12-22)21-18(23)14-7-9-20-10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLHOOKUQWAHMQFY-HNNXBMFYSA-N
MW393.90 g/mol
LogP2.63
Rot. Bonds4

About N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide

N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 11618123) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
PubChem CID11618123
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O3S/c1-13-16(19)5-2-6-17(13)26(24,25)22-11-3-4-15(12-22)21-18(23)14-7-9-20-10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLHOOKUQWAHMQFY-HNNXBMFYSA-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]-4-methoxybenzamide
CID 11611555
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788
(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
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 68933615
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 11619039
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 58702041
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257105

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide (CID 11618123) is N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1.
What is the InChIKey of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is LHOOKUQWAHMQFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-16(19)5-2-6-17(13)26(24,25)22-11-3-4-15(12-22)21-18(23)14-7-9-20-10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide?
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 11618123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).