N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C18H20ClN3O4S — CID 5309136

IUPACN-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-5-4-14(11-16(17)19)21-18(23)13-6-9-22(10-7-13)27(24,25)15-3-2-8-20-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyYBKQJSYXVNJOHA-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.78
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309136) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309136
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O4S/c1-26-17-5-4-14(11-16(17)19)21-18(23)13-6-9-22(10-7-13)27(24,25)15-3-2-8-20-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyYBKQJSYXVNJOHA-UHFFFAOYSA-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

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26735843
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1457049
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55671038
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
N-(3-chloro-4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211062

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 5309136) is N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YBKQJSYXVNJOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-26-17-5-4-14(11-16(17)19)21-18(23)13-6-9-22(10-7-13)27(24,25)15-3-2-8-20-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-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 N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).