[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone

C26H22F2N4O3S — CID 24981098

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C26H22F2N4O3S/c27-21-12-7-13-22(28)25(21)36(34,35)31-16-14-30(15-17-31)26(33)24-18-23(19-8-3-1-4-9-19)29-32(24)20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyXYGRSWOMLDSNHN-UHFFFAOYSA-N
MW508.55 g/mol
LogP3.96
Rot. Bonds5

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone (PubChem CID 24981098) has the molecular formula C26H22F2N4O3S and a molecular weight of 508.55 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone
PubChem CID24981098
Molecular FormulaC26H22F2N4O3S
Molecular Weight508.55 g/mol
Exact Mass508.14
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C26H22F2N4O3S/c27-21-12-7-13-22(28)25(21)36(34,35)31-16-14-30(15-17-31)26(33)24-18-23(19-8-3-1-4-9-19)29-32(24)20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyXYGRSWOMLDSNHN-UHFFFAOYSA-N
XLogP3.96
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dpc-602
CID 9915041
2-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]benzene-1-sulfonamide
CID 23646171
2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9830932
3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9824122
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
[2-[5-[[2-Fluoro-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylazanium
CID 72200185
2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9812184
2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10603555
n-(3-Chlorophenyl)-[1-(4-aminosulfonylphenyl)-5-(4-fluorophenyl)-1h-pyrazol-3-yl]carboxamide
CID 15485784
1-(4-Fluorophenyl)-2-[4-(5-methyl-2-phenyl-2H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901909
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone (CID 24981098) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone?
The InChIKey is XYGRSWOMLDSNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3S/c27-21-12-7-13-22(28)25(21)36(34,35)31-16-14-30(15-17-31)26(33)24-18-23(19-8-3-1-4-9-19)29-32(24)20-10-5-2-6-11-20/h1-13,18H,14-17H2.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone has a molecular weight of 508.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone is sourced from PubChem (CID 24981098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).