N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

C18H20ClN3O3S — CID 3458992

IUPACN-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-4-5-15(19)11-17(13)26(24,25)22-9-6-16(7-10-22)21-18(23)14-3-2-8-20-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyGWIFQFPLXGRKNG-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3458992) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
PubChem CID3458992
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-4-5-15(19)11-17(13)26(24,25)22-9-6-16(7-10-22)21-18(23)14-3-2-8-20-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyGWIFQFPLXGRKNG-UHFFFAOYSA-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-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813459
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47075501
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (CID 3458992) is N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GWIFQFPLXGRKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-4-5-15(19)11-17(13)26(24,25)22-9-6-16(7-10-22)21-18(23)14-3-2-8-20-12-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-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-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3458992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).