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Celecoxib

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Identification
Molecular formula
C17H14Cl2N2O2S
CAS number
169590-42-5
IUPAC name
2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]acetamide
State
State

At room temperature, Celecoxib is in a solid state, appearing as a crystalline powder.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
335.00
Boiling point (Kelvin)
608.15
General information
Molecular weight
381.37g/mol
Molar mass
381.3720g/mol
Density
1.3805g/cm3
Appearence

Celecoxib is typically a white or off-white crystalline powder. It is practically insoluble in water, which contributes to its powdery form and appearance.

Comment on solubility

Solubility of 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]acetamide

The solubility of a compound can significantly influence its practical applications, and understanding the solubility of 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]acetamide (C17H14Cl2N2O2S) is essential for its use in various fields.

Key Points About Solubility:

  • Polarity: This compound contains polar functional groups, which may enhance its solubility in polar solvents like water.
  • Chlorine Substituents: The presence of Cl atoms can affect solubility, often leading to decreased solubility in non-polar solvents.
  • Sulfonyl Group: The -SO2- group may further influence the water solubility by interacting favorably with water molecules.
  • Hydroxyl Groups: These groups are known to promote hydrogen bonding, increasing solubility in water and polar solvents.

In general, it can be anticipated that this compound may exhibit a moderate solubility profile due to the competing influences of its various functional groups. As a rule of thumb, "like dissolves like," which is why a thorough understanding of the molecular structure is crucial. Testing in various solvents will provide definitive insights into its solubility characteristics.

Interesting facts

Interesting Facts about 2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]acetamide

This compound, known for its complex structure, presents a fascinating blend of functional groups that contribute to its potential applications in various fields. Below are some engaging facts about this compound:

  • Diverse Functions: The presence of chloro, hydroxy, and sulfonyl groups enables this compound to exhibit both polar and nonpolar characteristics, making it an interesting subject of study in medicinal chemistry.
  • Potential Pharmaceutical Applications: As a derivative of acetamides, this compound has potential therapeutic implications. Compounds with similar structures have been explored for their anti-inflammatory and analgesic properties.
  • Mechanism Insight: The complexity of its structure allows researchers to study how modifications in the molecular architecture affect biological activity, fostering insights into structure-activity relationships.
  • Environmental Relevance: With its chlorine content, understanding the degradation pathways of such halogenated compounds is crucial, particularly in environmental chemistry, where they may participate in various biochemical cycles.
  • Research Interest: Chemists are particularly interested in exploring this compound’s synthesis and reactions, leading to potential breakthroughs in drug development or the creation of new materials.

In summary, 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfonylphenyl)ethyl]acetamide stands as a testament to the intricate world of chemical compounds, offering numerous avenues for exploration and application. As scientists delve deeper, the hopes are high that such complex structures could lead to significant advancements in chemical science.

Synonyms
Racefenicol
RACEPHENICOL
Fricol
Win 5063
Macphenicol
Urfamicina
Descocin
Efnicol
Hyrazin
Masatirin
Neomyson
Rincrol
Thiamcol
Urophenyl
Unaseran-D
847-25-6
8065 C.B
2,2-dichloro-N-[1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Methylsulfonylchloramphenicol
Thiamphenicol dl-form
SW 5063
7780-07-6
Thiophenicol;Dextrosulphenidol
D-(+)-threo-2,2-Dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide
D-(+)-threo-2,2-Dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide
CHEMBL315338
SCHEMBL8895477
DTXSID10860157
HMS3374I06
HMS3656C20
3785-14-6
Acetamide, 2,2-dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-, D-threo-
Acetamide, 2,2-dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-, D-threo-(+)-
Acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-(methylsul fonyl)phenyl)ethyl)-, (S-(R*,R*))-
NSC522822
NCGC00095011-01
NCGC00095011-02
DB-017532
NS00000681
2,2-Dichloro-N-(1,3-dihydroxy-1-(4-(methylsulfonyl)phenyl)propan-2-yl)acetamide
2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide
Acetamide, 2,2-dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)-,D-threo-(+)
Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-, D-threo-
Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-, D-threo-(+)-
Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-, D-threo-(-)-
Acetamide,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,R*)]-