1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide

C22H23FN4O3S — CID 19338132

IUPAC1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O3S/c23-19-6-4-5-17(13-19)15-26-16-20(14-24-26)25-22(28)18-9-11-27(12-10-18)31(29,30)21-7-2-1-3-8-21/h1-8,13-14,16,18H,9-12,15H2,(H,25,28)
InChIKeyRMDIWQRRCGPSGU-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.11
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 19338132) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID19338132
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O3S/c23-19-6-4-5-17(13-19)15-26-16-20(14-24-26)25-22(28)18-9-11-27(12-10-18)31(29,30)21-7-2-1-3-8-21/h1-8,13-14,16,18H,9-12,15H2,(H,25,28)
InChIKeyRMDIWQRRCGPSGU-UHFFFAOYSA-N
XLogP3.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
CID 148637488
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4776963
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide
CID 47028113
1-(1-Phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 56820194
1-benzyl-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 72026461
3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
CID 94146587
4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
CID 155543634
N-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 172439173
N-[4-[4-[3-[4-(4-fluorophenyl)triazol-1-yl]propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 172445819
N-ethyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737676
4-fluoro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4572738

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide (CID 19338132) is 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is RMDIWQRRCGPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c23-19-6-4-5-17(13-19)15-26-16-20(14-24-26)25-22(28)18-9-11-27(12-10-18)31(29,30)21-7-2-1-3-8-21/h1-8,13-14,16,18H,9-12,15H2,(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19338132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).