2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole

C18H17FN2O2S — CID 67981920

IUPAC2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole
SMILESCCS(=O)(=O)c1ccccc1-c1cc(-c2nccn2C)ccc1F
InChIInChI=1S/C18H17FN2O2S/c1-3-24(22,23)17-7-5-4-6-14(17)15-12-13(8-9-16(15)19)18-20-10-11-21(18)2/h4-12H,3H2,1-2H3
InChIKeyQNVQHOATPWWBFS-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole

2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole (PubChem CID 67981920) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole
PubChem CID67981920
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole
SMILESCCS(=O)(=O)c1ccccc1-c1cc(-c2nccn2C)ccc1F
InChIInChI=1S/C18H17FN2O2S/c1-3-24(22,23)17-7-5-4-6-14(17)15-12-13(8-9-16(15)19)18-20-10-11-21(18)2/h4-12H,3H2,1-2H3
InChIKeyQNVQHOATPWWBFS-UHFFFAOYSA-N
XLogP3.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole?
The IUPAC name of 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole (CID 67981920) is 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole.
What is the SMILES notation for 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole?
The canonical SMILES for 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole is CCS(=O)(=O)c1ccccc1-c1cc(-c2nccn2C)ccc1F.
What is the InChIKey of 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole?
The InChIKey is QNVQHOATPWWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-24(22,23)17-7-5-4-6-14(17)15-12-13(8-9-16(15)19)18-20-10-11-21(18)2/h4-12H,3H2,1-2H3.
What are the key properties of 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole?
2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole has a molecular weight of 344.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole is sourced from PubChem (CID 67981920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).