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Celecoxib

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Identification
Molecular formula
C17H14F3N3O2S
CAS number
169590-42-5
IUPAC name
N-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide
State
State

At room temperature, Celecoxib is in a solid state. It is made into pharmaceutical formulations such as capsules for its administration.

Melting point (Celsius)
157.00
Melting point (Kelvin)
430.15
Boiling point (Celsius)
745.30
Boiling point (Kelvin)
1 018.45
General information
Molecular weight
381.37g/mol
Molar mass
381.3720g/mol
Density
1.3290g/cm3
Appearence

Celecoxib is typically presented in the form of white or off-white crystalline powder. It is generally hydrophobic and has a standard pharmaceutical appearance when processed and manufactured into tablets or capsules.

Comment on solubility

Solubility of N-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide

The solubility of the compound N-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide, with the formula C17H14F3N3O2S, is influenced by several factors due to its complex molecular structure. Understanding the solubility characteristics of this compound can provide valuable insights into its potential applications.

Key Aspects of Solubility:

  • Polarity: This compound features both hydrophilic (such as the -OH group) and hydrophobic regions, which affects its solubility in various solvents.
  • Solvent Compatibility: It is likely to be more soluble in polar solvents, such as water or alcohols, due to the presence of polar functional groups.
  • Temperature Influence: As with many organic compounds, solubility may increase with temperature, suggesting enhanced dissolution at elevated temperatures.
  • Structural Impact: The bulky substituents such as 4-chlorophenyl and methoxy groups may hinder its ability to efficiently interact with solvents, potentially lowering its solubility.

In conclusion, while N-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide may exhibit variable solubility dependent on solvent choice and environmental conditions, understanding these factors is essential for determining its utility in practical applications.

Interesting facts

Interesting Facts about N-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy-benzenesulfonamide

This compound, known for its complex structure, showcases a remarkable blend of functionalities that make it a subject of significant interest in medicinal chemistry. Here are some captivating aspects:

  • Pharmacological Potential: Compounds like this one often exhibit potential as pharmaceuticals, especially in the fields of anti-cancer and anti-inflammatory therapies.
  • Structural Diversity: The intricate arrangement of various functional groups—including the sulfonamide group—provides opportunities for various interactions within biological systems.
  • Mechanism of Action: Understanding the way this compound interacts at the molecular level can reveal vital information about its mechanism of action and help in the design of more effective drugs.
  • Substituent Role: The presence of the 4-chlorophenyl and methoxy groups influence its chemical reactivity, solubility, and overall bioactivity.
  • Drug Design Innovation: The art of medicinal chemistry is highlighted by such compounds, where minor alterations in the structure can lead to dramatically different biological effects.

As researchers continue to explore the properties of this compound, ongoing studies may provide deeper insights into its applications and pave the way for new therapeutic strategies. The future of this compound could reveal its significance in advancing modern medicine.

Synonyms
C26H29ClN2O4S
CHEMBL3199731
DTXSID401025982
N-{2-[N-(4-chlorocinnamyl)-N-methylaminomethyl]phenyl}-N-[2-hydroxyethyl]-4-methoxybenzenesulfonamide
NCGC00162399-01
DA-33452
K0055