1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole

C18H17FN2O2S — CID 56719733

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2nccn2CCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-14-2-4-15(5-3-14)18-20-10-11-21(18)12-13-24(22,23)17-8-6-16(19)7-9-17/h2-11H,12-13H2,1H3
InChIKeyUULIXSFPKIIVNY-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole

1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole (PubChem CID 56719733) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole
PubChem CID56719733
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2nccn2CCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-14-2-4-15(5-3-14)18-20-10-11-21(18)12-13-24(22,23)17-8-6-16(19)7-9-17/h2-11H,12-13H2,1H3
InChIKeyUULIXSFPKIIVNY-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole (CID 56719733) is 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole is Cc1ccc(-c2nccn2CCS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole?
The InChIKey is UULIXSFPKIIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-14-2-4-15(5-3-14)18-20-10-11-21(18)12-13-24(22,23)17-8-6-16(19)7-9-17/h2-11H,12-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole?
1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole has a molecular weight of 344.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfonylethyl]-2-(4-methylphenyl)imidazole is sourced from PubChem (CID 56719733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).