5-Fluoro-2-methylsulfonylaniline
Names and Identifiers of 5-Fluoro-2-methylsulfonylaniline
CAS Number |
1000339-65-0 |
|---|---|
MDL Number |
MFCD09264538 |
IUPAC Name |
5-fluoro-2-methylsulfonylaniline |
InChI |
InChI=1S/C7H8FNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 |
InChIKey |
FTVFGNHBSCURJP-UHFFFAOYSA-N |
Canonical SMILES |
CS(=O)(=O)C1=C(C=C(C=C1)F)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-Fluoro-2-methylsulfonylaniline
Acidity coefficient |
-0.94±0.10(Predicted) |
|---|---|
Boiling Point |
371.2±42.0 °C(Predicted) |
Density |
1.374±0.06 g/cm3(Predicted) |
Exact Mass |
189.02600 |
LogP |
2.47340 |
Molecular Formula |
C7H8FNO2S |
Molecular Weight |
189.20700 |
PSA |
68.54000 |
Safety Information of 5-Fluoro-2-methylsulfonylaniline
Applications of 5-Fluoro-2-methylsulfonylaniline
5-Fluoro-2-methylsulfonylaniline has potential applications in various fields, including:
- Pharmaceutical Development: As a precursor or intermediate in the synthesis of pharmaceuticals, particularly those targeting cancer.
- Organic Synthesis: Utilized as a building block for synthesizing more complex organic molecules.
- Material Science: Investigated for use in developing new materials with specific electronic or optical properties.
Interaction Studies of 5-Fluoro-2-methylsulfonylaniline
Research into the interaction of 5-Fluoro-2-methylsulfonylaniline with biological targets is ongoing. Preliminary studies suggest that its structure allows it to engage with enzymes involved in metabolic pathways, potentially leading to inhibition or modulation of these pathways.
Key Focus Areas:- Enzyme Inhibition Studies: Evaluating its effectiveness against specific enzymes related to nucleotide metabolism.
- Binding Affinity Assessments: Understanding how well it binds to target proteins compared to similar compounds.
Biological Activity of 5-Fluoro-2-methylsulfonylaniline
5-Fluoro-2-methylsulfonylaniline exhibits notable biological activities, particularly in the context of anticancer research. Compounds with similar structures often act as enzyme inhibitors or modulators in various biochemical pathways. The specific biological targets and mechanisms of action for this compound are still under investigation, but it is suggested that it may interact with key enzymes involved in nucleotide metabolism.
Potential Biological Effects:- Anticancer Activity: Similar compounds have shown promise in inhibiting tumor growth by interfering with DNA synthesis pathways.
- Anti-inflammatory Properties: Aniline derivatives are known to exhibit anti-inflammatory effects, contributing to their therapeutic potential.