4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole

C23H19FN2O4S2 — CID 162412603

IUPAC4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S2/c1-16-8-12-21(13-9-16)32(29,30)26-22(18-6-4-3-5-7-18)23(17(2)25-26)31(27,28)20-14-10-19(24)11-15-20/h3-15H,1-2H3
InChIKeyHZZDGGXPEUSYHP-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.38
Rot. Bonds5

About 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole

4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole (PubChem CID 162412603) has the molecular formula C23H19FN2O4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
PubChem CID162412603
Molecular FormulaC23H19FN2O4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S2/c1-16-8-12-21(13-9-16)32(29,30)26-22(18-6-4-3-5-7-18)23(17(2)25-26)31(27,28)20-14-10-19(24)11-15-20/h3-15H,1-2H3
InChIKeyHZZDGGXPEUSYHP-UHFFFAOYSA-N
XLogP4.38
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole (CID 162412603) is 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole is Cc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The InChIKey is HZZDGGXPEUSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S2/c1-16-8-12-21(13-9-16)32(29,30)26-22(18-6-4-3-5-7-18)23(17(2)25-26)31(27,28)20-14-10-19(24)11-15-20/h3-15H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole has a molecular weight of 470.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole is sourced from PubChem (CID 162412603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).