(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide

C18H20ClN3O4S — CID 1457049

IUPAC(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1Cl
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-7-6-15(10-16(17)19)27(24,25)22-9-3-4-13(12-22)18(23)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFOJPDRZHZMAXSQ-ZDUSSCGKSA-N
MW409.90 g/mol
LogP2.78
Rot. Bonds5

About (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide

(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 1457049) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID1457049
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1Cl
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-7-6-15(10-16(17)19)27(24,25)22-9-3-4-13(12-22)18(23)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFOJPDRZHZMAXSQ-ZDUSSCGKSA-N
XLogP2.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 126398428
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126398535
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 124580113
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302602
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
N-(1,2-benzothiazol-5-yl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133159643
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126397163
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide (CID 1457049) is (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1Cl.
What is the InChIKey of (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is FOJPDRZHZMAXSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-26-17-7-6-15(10-16(17)19)27(24,25)22-9-3-4-13(12-22)18(23)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide?
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).