Skip to main content

Celecoxib

ADVERTISEMENT
Identification
Molecular formula
C17H14BrF3N3O2S
CAS number
169590-42-5
IUPAC name
4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
State
State

At room temperature, celecoxib is a solid.

Melting point (Celsius)
159.50
Melting point (Kelvin)
432.70
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
381.37g/mol
Molar mass
0.0000g/mol
Density
1.6950g/cm3
Appearence

Celecoxib appears as a white to off-white crystalline powder. It is practically insoluble in water but soluble in organic solvents such as methanol and ethanol.

Comment on solubility

Solubility of 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

The solubility of 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide, with the chemical formula C17H14BrF3N3O2S, can be assessed based on its structural features and the influence of functional groups present within the molecule. Understanding solubility is crucial for predicting the behavior of compounds in various environments and applications.

Key Factors Affecting Solubility

  • Hydrophobic and Hydrophilic Interactions: The presence of hydrophobic components, such as the trifluoromethyl and bromophenyl groups, may hinder solubility in polar solvents, leading to potential challenges in aqueous solutions.
  • Functional Groups: The benzenesulfonamide group may provide opportunities for hydrogen bonding, which can enhance solubility in certain polar solvents.
  • Overall Polarity: The balance between hydrophobic and hydrophilic elements ultimately determines the compound’s solubility profile.

In conclusion, while the compound has various polar and non-polar features, predicting its solubility requires careful consideration of the interactions it may engage in with solvents. It is important to conduct experimental evaluations to determine the exact solubility characteristics.

Interesting facts

Interesting Facts about 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

This compound belongs to the class of sulfonamide derivatives, which are known for their wide range of biological activities. Its complex structure features both a pyrazole and a sulfonamide functional group, which plays a crucial role in its biological applications.

Biological Significance

  • Pharmacological Potential: Compounds like this one have been studied for their potential as anti-inflammatory and antimicrobial agents.
  • Mechanism of Action: The sulfonamide moiety is known to inhibit bacterial growth by interfering with folic acid synthesis.

Structural Components

Examining its structure reveals various functional groups that contribute to its properties:

  • Trifluoromethyl Group: This highly electronegative group can influence the compound's lipophilicity and electronic properties.
  • Bromophenyl Unit: The presence of the bromine atom can enhance the compound's interactions with biological targets.
  • Pyrazole Ring: Known for its stability and ability to form hydrogen bonds, the pyrazole unit increases the molecule's pharmacological activity.

Applications in Research

This compound is not only significant in pharmacology but also serves as a valuable tool in chemical synthesis and materials science:

  • Research Chemical: It can be utilized as a precursor in synthetic routes for more complex medicinal compounds.
  • Material Science: Due to its unique properties, it could be integrated into developing new materials with desirable characteristics.

As scientists continue to explore its full potential, the compound’s unique combination of structural features and biological relevance highlights the exciting possibilities that sulfonamide derivatives hold in future therapeutic applications.

Synonyms
845674-84-2
SC-558
1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CHEMBL1235806
4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
170569-93-4
S58
4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
OYZKFVIVPRQRQQ-UHFFFAOYSA-N
SCHEMBL3900112
BDBM50096276
AKOS038557225
AB21512
DB03477
DB-208292
NS00068886
Q27094410
4-[5-(4-Bromo-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
Benzenesulfonamide, 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-