[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C20H24FN3O3S — CID 16609667

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-15(2)22-19-5-3-4-12-24(19)20(25)16-10-13-23(14-11-16)28(26,27)18-8-6-17(21)7-9-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/b22-19+
InChIKeyVDARSDCIIHTURJ-ZBJSNUHESA-N
MW405.50 g/mol
LogP2.68
Rot. Bonds4

About [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 16609667) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID16609667
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-15(2)22-19-5-3-4-12-24(19)20(25)16-10-13-23(14-11-16)28(26,27)18-8-6-17(21)7-9-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/b22-19+
InChIKeyVDARSDCIIHTURJ-ZBJSNUHESA-N
XLogP2.68
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16611964
1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035839
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-[3-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035837
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747655

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 16609667) is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is VDARSDCIIHTURJ-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15(2)22-19-5-3-4-12-24(19)20(25)16-10-13-23(14-11-16)28(26,27)18-8-6-17(21)7-9-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/b22-19+.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 405.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16609667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).