1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide

C19H16ClF3N4O3S — CID 112839154

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C19H16ClF3N4O3S/c20-16-9-14(19(21,22)23)11-25-17(16)27-6-4-13(5-7-27)18(28)26-31(29,30)15-3-1-2-12(8-15)10-24/h1-3,8-9,11,13H,4-7H2,(H,26,28)
InChIKeyAAONPBFQEAUOAC-UHFFFAOYSA-N
MW472.88 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 112839154) has the molecular formula C19H16ClF3N4O3S and a molecular weight of 472.88 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID112839154
Molecular FormulaC19H16ClF3N4O3S
Molecular Weight472.88 g/mol
Exact Mass472.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C19H16ClF3N4O3S/c20-16-9-14(19(21,22)23)11-25-17(16)27-6-4-13(5-7-27)18(28)26-31(29,30)15-3-1-2-12(8-15)10-24/h1-3,8-9,11,13H,4-7H2,(H,26,28)
InChIKeyAAONPBFQEAUOAC-UHFFFAOYSA-N
XLogP3.35
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26309310
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119453373
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(3-ethynylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55949151
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 24680931
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 24525425
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376305

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide (CID 112839154) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide is N#Cc1cccc(S(=O)(=O)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AAONPBFQEAUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O3S/c20-16-9-14(19(21,22)23)11-25-17(16)27-6-4-13(5-7-27)18(28)26-31(29,30)15-3-1-2-12(8-15)10-24/h1-3,8-9,11,13H,4-7H2,(H,26,28).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 472.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 112839154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).