1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole

C11H11FN2O2S — CID 16805051

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2C)ccc1F
InChIInChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3
InChIKeyZTVBJWFKZYDSAC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole

1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole (PubChem CID 16805051) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole
PubChem CID16805051
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2C)ccc1F
InChIInChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3
InChIKeyZTVBJWFKZYDSAC-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
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CID 155823226
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole
CID 11841653
5,11-bis[(4-fluoro-3-methylphenyl)sulfonyl]benzo[c][1,5]benzodiazocine-6,12-dione
CID 2353856
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole (CID 16805051) is 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole is Cc1cc(S(=O)(=O)n2ccnc2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole?
The InChIKey is ZTVBJWFKZYDSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole?
1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole has a molecular weight of 254.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 16805051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).