1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

C22H23FN4O3S — CID 112822135

IUPAC1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O3S/c1-16-14-21(27(25-16)19-11-9-18(23)10-12-19)24-22(28)17-6-5-13-26(15-17)31(29,30)20-7-3-2-4-8-20/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,24,28)
InChIKeyJMCSIPCAWBECDX-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.36
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 112822135) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
PubChem CID112822135
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O3S/c1-16-14-21(27(25-16)19-11-9-18(23)10-12-19)24-22(28)17-6-5-13-26(15-17)31(29,30)20-7-3-2-4-8-20/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,24,28)
InChIKeyJMCSIPCAWBECDX-UHFFFAOYSA-N
XLogP3.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 55668421
1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 55668435
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 112805813
(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 42110626
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 112819881
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (CID 112822135) is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is JMCSIPCAWBECDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16-14-21(27(25-16)19-11-9-18(23)10-12-19)24-22(28)17-6-5-13-26(15-17)31(29,30)20-7-3-2-4-8-20/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,24,28).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 112822135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).