5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole

C16H13ClN2O2S — CID 173207420

IUPAC5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccccc1-n1nccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-22(20,21)16-5-3-2-4-15(16)19-14(10-11-18-19)12-6-8-13(17)9-7-12/h2-11H,1H3
InChIKeyWXKCFJVYVYAVLE-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.60
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole

5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole (PubChem CID 173207420) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole
PubChem CID173207420
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccccc1-n1nccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-22(20,21)16-5-3-2-4-15(16)19-14(10-11-18-19)12-6-8-13(17)9-7-12/h2-11H,1H3
InChIKeyWXKCFJVYVYAVLE-UHFFFAOYSA-N
XLogP3.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(carbamothioic S-acid);5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole;methane;prop-1-yne;hydrate
CID 173207497
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
CID 67663311
bis(carbamothioic S-acid);5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)-3-phenylpyrazole;methane;hydrate
CID 173224241
1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol
CID 68714072
bis(carbamothioic S-acid);2-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide;methane;prop-1-ene;hydrate
CID 173207550
5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67647700
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67649651
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole (CID 173207420) is 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1ccccc1-n1nccc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole?
The InChIKey is WXKCFJVYVYAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-22(20,21)16-5-3-2-4-15(16)19-14(10-11-18-19)12-6-8-13(17)9-7-12/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole?
5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole has a molecular weight of 332.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 173207420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).