4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide

C14H15FN2O2S — CID 154821323

IUPAC4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccnc2-c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O2S/c15-13-4-2-1-3-12(13)14-16-7-8-17(14)11-5-9-20(18,19)10-6-11/h1-4,7-8,11H,5-6,9-10H2
InChIKeyXWUYJQPAKUBHQO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.44
Rot. Bonds2

About 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide

4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide (PubChem CID 154821323) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
PubChem CID154821323
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccnc2-c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O2S/c15-13-4-2-1-3-12(13)14-16-7-8-17(14)11-5-9-20(18,19)10-6-11/h1-4,7-8,11H,5-6,9-10H2
InChIKeyXWUYJQPAKUBHQO-UHFFFAOYSA-N
XLogP2.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155918918
4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154815819
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
acetic acid;4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938294
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide
CID 155918886
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
CID 82559295
acetic acid;4-[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938497
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166615913
1-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazol-2-amine
CID 106559126

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide (CID 154821323) is 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide is O=S1(=O)CCC(n2ccnc2-c2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide?
The InChIKey is XWUYJQPAKUBHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-13-4-2-1-3-12(13)14-16-7-8-17(14)11-5-9-20(18,19)10-6-11/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide?
4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide has a molecular weight of 294.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide is sourced from PubChem (CID 154821323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).