1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C20H20ClN5O3S — CID 55765789

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C20H20ClN5O3S/c21-19-18(6-2-9-22-19)30(28,29)25-12-7-15(8-13-25)20(27)24-16-4-1-5-17(14-16)26-11-3-10-23-26/h1-6,9-11,14-15H,7-8,12-13H2,(H,24,27)
InChIKeyCESNUYNVOPFJLA-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.96
Rot. Bonds5

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 55765789) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID55765789
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C20H20ClN5O3S/c21-19-18(6-2-9-22-19)30(28,29)25-12-7-15(8-13-25)20(27)24-16-4-1-5-17(14-16)26-11-3-10-23-26/h1-6,9-11,14-15H,7-8,12-13H2,(H,24,27)
InChIKeyCESNUYNVOPFJLA-UHFFFAOYSA-N
XLogP2.96
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 34312301
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 47080772
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794396

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 55765789) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CESNUYNVOPFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c21-19-18(6-2-9-22-19)30(28,29)25-12-7-15(8-13-25)20(27)24-16-4-1-5-17(14-16)26-11-3-10-23-26/h1-6,9-11,14-15H,7-8,12-13H2,(H,24,27).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55765789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).