1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

C16H19FN4O3S — CID 51238050

IUPAC1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H19FN4O3S/c1-20-10-8-15(19-20)18-16(22)12-3-2-9-21(11-12)25(23,24)14-6-4-13(17)5-7-14/h4-8,10,12H,2-3,9,11H2,1H3,(H,18,19,22)
InChIKeyVCQLRGHZBZUCSC-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.60
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 51238050) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID51238050
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H19FN4O3S/c1-20-10-8-15(19-20)18-16(22)12-3-2-9-21(11-12)25(23,24)14-6-4-13(17)5-7-14/h4-8,10,12H,2-3,9,11H2,1H3,(H,18,19,22)
InChIKeyVCQLRGHZBZUCSC-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 18092782
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885
N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19405146
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
1-(4-fluorophenyl)sulfonyl-N-(4-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 55531467
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (CID 51238050) is 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is Cn1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is VCQLRGHZBZUCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-20-10-8-15(19-20)18-16(22)12-3-2-9-21(11-12)25(23,24)14-6-4-13(17)5-7-14/h4-8,10,12H,2-3,9,11H2,1H3,(H,18,19,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51238050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).