1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

C17H18FN3O3S — CID 24687006

IUPAC1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22)
InChIKeyLUHUQYROFSHIHJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 24687006) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID24687006
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22)
InChIKeyLUHUQYROFSHIHJ-UHFFFAOYSA-N
XLogP2.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (CID 24687006) is 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is LUHUQYROFSHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-14-1-3-16(4-2-14)25(23,24)21-11-7-13(8-12-21)17(22)20-15-5-9-19-10-6-15/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 24687006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).