1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

C17H18ClN3O3S — CID 6462258

IUPAC1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-10-7-13(8-11-21)17(22)20-15-2-1-9-19-12-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,22)
InChIKeyUUTSGVHFCASIPH-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 6462258) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID6462258
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-10-7-13(8-11-21)17(22)20-15-2-1-9-19-12-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,22)
InChIKeyUUTSGVHFCASIPH-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.77
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-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (CID 6462258) is 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is UUTSGVHFCASIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-10-7-13(8-11-21)17(22)20-15-2-1-9-19-12-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.77, 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-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 6462258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).