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1-(Azepan-1-yl)-3-(benzenesulfonyl)urea

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Identification
Molecular formula
C13H18N2O3S
CAS number
N/A
IUPAC name
1-(azepan-1-yl)-3-(benzenesulfonyl)urea
State
State

At room temperature, 1-(azepan-1-yl)-3-(benzenesulfonyl)urea typically exists as a solid. Its crystalline structure and melting point suggest a stable solid form under typical laboratory conditions.

Melting point (Celsius)
87.00
Melting point (Kelvin)
360.15
Boiling point (Celsius)
255.00
Boiling point (Kelvin)
528.15
General information
Molecular weight
297.38g/mol
Molar mass
297.3750g/mol
Density
1.2800g/cm3
Appearence

The compound generally appears as a crystalline solid which is white to off-white in color. Due to its structure, it might be slightly hygroscopic depending on the environmental conditions.

Comment on solubility

Solubility of 1-(azepan-1-yl)-3-(benzenesulfonyl)urea

The solubility of 1-(azepan-1-yl)-3-(benzenesulfonyl)urea can be influenced by various factors, including its chemical structure and interactions with solvents. Here are some key points regarding its solubility:

  • Polar Character: Due to the presence of urea and sulfonyl groups, the compound exhibits polar characteristics, which generally promote solubility in polar solvents.
  • Hydrogen Bonding: The urea moiety allows for potential hydrogen bonding with water, enhancing its solubility in aqueous solutions.
  • Solvent Choice: While it may dissolve well in polar solvents such as water or methanol, its solubility might be limited in non-polar solvents.
  • Temperature Influence: Like many compounds, increasing temperature may improve solubility due to increased molecular motion.
  • Practical Applications: Understanding solubility is crucial for applications in formulations, as it determines how the compound behaves in biological systems and chemical processes.

In summary, the solubility of 1-(azepan-1-yl)-3-(benzenesulfonyl)urea is expected to be favorable in polar environments due to its chemical structure and potential for hydrogen bonding. Further experimental data would provide more precise insights into its solubility profile across various conditions.

Interesting facts

Interesting Facts about 1-(azepan-1-yl)-3-(benzenesulfonyl)urea

1-(azepan-1-yl)-3-(benzenesulfonyl)urea is a fascinating compound that can be explored from multiple angles. Here are some highlights that may intrigue scientists and chemistry students alike:

  • Biological Relevance: This compound has shown potential in various therapeutic applications. Its unique structure is amenable to modifications that could enhance its biological activity.
  • Versatile Synthesis: The synthesis of this compound can be a great exercise in organic chemistry. It often involves classic steps like nucleophilic substitution and condensation reactions, illustrating important concepts.
  • Functional Groups: The presence of the azepane ring and the benzenesulfonyl group provides a rich playground for studying reactivity and stability. Chemists can explore how these functional groups interact with one another.
  • Application in Drug Development: Compounds with sulfonyl urea moieties are known for their pharmacological properties. Research into similar compounds has led to improvements in diabetes treatment, exemplifying *structure-activity relationships*.
  • Analytical Techniques: Characterizing this compound typically requires a variety of analytical methods, including NMR spectroscopy, mass spectrometry, and IR spectroscopy, which are essential tools in the chemist's toolbox.

As described by many researchers, understanding such compounds is crucial as they serve as blueprints for the design of novel medicinal agents. The distinct combination of the azepane and sulfonyl urea functionalities offers a *unique perspective* in both theoretical studies and practical applications.

Overall, 1-(azepan-1-yl)-3-(benzenesulfonyl)urea serves as an exemplary model for investigating the intersection of organic chemistry and pharmaceuticals, allowing researchers to harness the power of its structure for innovative solutions.

Synonyms
BF0RJC933R
1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea
1443-97-6
Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(phenylsulfonyl)-
Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-
UNII-BF0RJC933R