1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H20ClN3O3S — CID 6473361

IUPAC1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H20ClN3O3S/c1-13-3-2-4-17(20-13)21-18(23)14-9-11-22(12-10-14)26(24,25)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyYGDMGWZSRAIDMF-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 6473361) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID6473361
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H20ClN3O3S/c1-13-3-2-4-17(20-13)21-18(23)14-9-11-22(12-10-14)26(24,25)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyYGDMGWZSRAIDMF-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 6473361) is 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YGDMGWZSRAIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-3-2-4-17(20-13)21-18(23)14-9-11-22(12-10-14)26(24,25)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3,(H,20,21,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 6473361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).