4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole

C16H12ClFN2O2S — CID 158591459

IUPAC4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(Cl)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H12ClFN2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-10-15(17)16(19-20)12-3-2-4-13(18)9-12/h2-10H,1H3
InChIKeyIRLFBCMIUSHQEA-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.89
Rot. Bonds3

About 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole

4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 158591459) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID158591459
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(Cl)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H12ClFN2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-10-15(17)16(19-20)12-3-2-4-13(18)9-12/h2-10H,1H3
InChIKeyIRLFBCMIUSHQEA-UHFFFAOYSA-N
XLogP3.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole (CID 158591459) is 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2cc(Cl)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is IRLFBCMIUSHQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-10-15(17)16(19-20)12-3-2-4-13(18)9-12/h2-10H,1H3.
What are the key properties of 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole?
4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 350.80 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 158591459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).