[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C20H19FN4O3S — CID 9326991

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S/c21-18-8-4-5-9-19(18)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2
InChIKeySVGJATNWYHSFTK-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.16
Rot. Bonds4

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 9326991) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID9326991
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S/c21-18-8-4-5-9-19(18)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2
InChIKeySVGJATNWYHSFTK-UHFFFAOYSA-N
XLogP2.16
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide
CID 162648130
N-[4-fluoro-3-(morpholine-4-sulfonyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 17556804
[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16297229
[4-(Benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 4808765
[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16296668
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
1-(1-benzyl-1H-pyrazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine
CID 16313152
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323473
1-(4-fluorophenyl)-4-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24816601
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 31425892
[1-(2-Fluorophenyl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 53553367
[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53618523

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 9326991) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is SVGJATNWYHSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-18-8-4-5-9-19(18)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 414.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 9326991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).