1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide

C19H19ClF3N3O3S — CID 55794396

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O3S/c20-17-15(7-4-10-24-17)30(28,29)26-11-8-14(9-12-26)18(27)25-16(19(21,22)23)13-5-2-1-3-6-13/h1-7,10,14,16H,8-9,11-12H2,(H,25,27)
InChIKeyZPHFNKNGRKVVTI-UHFFFAOYSA-N
MW461.89 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide (PubChem CID 55794396) has the molecular formula C19H19ClF3N3O3S and a molecular weight of 461.89 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
PubChem CID55794396
Molecular FormulaC19H19ClF3N3O3S
Molecular Weight461.89 g/mol
Exact Mass461.08
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O3S/c20-17-15(7-4-10-24-17)30(28,29)26-11-8-14(9-12-26)18(27)25-16(19(21,22)23)13-5-2-1-3-6-13/h1-7,10,14,16H,8-9,11-12H2,(H,25,27)
InChIKeyZPHFNKNGRKVVTI-UHFFFAOYSA-N
XLogP3.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794486
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 55512060
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55509813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
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-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55859758
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide (CID 55794396) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)C(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is ZPHFNKNGRKVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S/c20-17-15(7-4-10-24-17)30(28,29)26-11-8-14(9-12-26)18(27)25-16(19(21,22)23)13-5-2-1-3-6-13/h1-7,10,14,16H,8-9,11-12H2,(H,25,27).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 461.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55794396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).