1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole

C22H16F2N2O4S2 — CID 163303734

IUPAC1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccccc2)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16F2N2O4S2/c1-15-22(31(27,28)19-11-7-17(23)8-12-19)21(16-5-3-2-4-6-16)26(25-15)32(29,30)20-13-9-18(24)10-14-20/h2-14H,1H3
InChIKeyHHVGZCCXEOBPPA-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.21
Rot. Bonds5

About 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole

1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole (PubChem CID 163303734) has the molecular formula C22H16F2N2O4S2 and a molecular weight of 474.51 g/mol. Its IUPAC name is 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
PubChem CID163303734
Molecular FormulaC22H16F2N2O4S2
Molecular Weight474.51 g/mol
Exact Mass474.05
IUPAC Name1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccccc2)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16F2N2O4S2/c1-15-22(31(27,28)19-11-7-17(23)8-12-19)21(16-5-3-2-4-6-16)26(25-15)32(29,30)20-13-9-18(24)10-14-20/h2-14H,1H3
InChIKeyHHVGZCCXEOBPPA-UHFFFAOYSA-N
XLogP4.21
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
CID 156769792
5-(1-benzothiophen-2-yl)-3-methyl-1,4-bis-(4-methylphenyl)sulfonylpyrazole
CID 156769790
4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 22579045
3-methyl-1-(4-nitrophenyl)sulfonyl-5-phenyl-4-phenylsulfanylpyrazole
CID 23940510
[4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 4-fluorobenzoate
CID 3388814
ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
CID 143079369
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 12531803
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole?
The IUPAC name of 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole (CID 163303734) is 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole.
What is the SMILES notation for 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole?
The canonical SMILES for 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole is Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccccc2)c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole?
The InChIKey is HHVGZCCXEOBPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O4S2/c1-15-22(31(27,28)19-11-7-17(23)8-12-19)21(16-5-3-2-4-6-16)26(25-15)32(29,30)20-13-9-18(24)10-14-20/h2-14H,1H3.
What are the key properties of 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole?
1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole has a molecular weight of 474.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole is sourced from PubChem (CID 163303734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).