4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole

C16H12F2N2O2S — CID 67459988

IUPAC4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(F)cc(F)c3)cn2)cc1
InChIInChI=1S/C16H12F2N2O2S/c1-11-2-4-16(5-3-11)23(21,22)20-10-13(9-19-20)12-6-14(17)8-15(18)7-12/h2-10H,1H3
InChIKeyLPEQOVYKJLFLMZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.37
Rot. Bonds3

About 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole

4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 67459988) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID67459988
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(F)cc(F)c3)cn2)cc1
InChIInChI=1S/C16H12F2N2O2S/c1-11-2-4-16(5-3-11)23(21,22)20-10-13(9-19-20)12-6-14(17)8-15(18)7-12/h2-10H,1H3
InChIKeyLPEQOVYKJLFLMZ-UHFFFAOYSA-N
XLogP3.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
1-Tosylpyrozole
CID 320750
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
4-iodo-1-tosyl-1H-pyrazole
CID 14041590
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 15380227
5-(4-Fluorophenyl)-4-iodo-1-(4-methylphenyl)sulfonylpyrazole
CID 164680520
1-(Benzenesulfonyl)-5-benzhydrylpyrazole
CID 2806042
1-(4-Methylphenyl)sulfonyl-3-phenylpyrazole
CID 12588997
N-tosyl-4-phenylpyrazole
CID 11254999
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole (CID 67459988) is 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2cc(-c3cc(F)cc(F)c3)cn2)cc1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is LPEQOVYKJLFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-11-2-4-16(5-3-11)23(21,22)20-10-13(9-19-20)12-6-14(17)8-15(18)7-12/h2-10H,1H3.
What are the key properties of 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 334.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 67459988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).