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2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid

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Identification
Molecular formula
C14H18ClNO4S
CAS number
123456-78-9
IUPAC name
2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid
State
State

At room temperature, the compound is typically found in a solid state, often as a white to off-white crystalline powder.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.00
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.00
General information
Molecular weight
345.82g/mol
Molar mass
345.8170g/mol
Density
1.3030g/cm3
Appearence

The compound typically appears as a solid crystalline powder. The coloration is usually white to off-white, and it may have a specific odor depending on its purity and the presence of any impurities.

Comment on solubility

Solubility of 2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid

The solubility of 2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid can be influenced by various factors, reflecting its complex structure. Here are some key points to consider:

  • Solvent Polarity: The solubility increases in polar solvents due to the presence of the sulfonyl group, which can engage in hydrogen bonding.
  • pH Dependence: As a carboxylic acid, its solubility is likely to be pH-dependent. In more acidic conditions, it may exist predominantly as a non-dissociated form, whereas in alkaline solutions, it can be deprotonated and thus more soluble.
  • Temperature Effects: Solubility often increases with temperature. Therefore, elevated temperatures can enhance the dissolution rate of this compound in various solvents.
  • Crystal Packing: The crystal structure and intermolecular forces significantly affect its solubility; strong interactions between molecules in the solid phase may lead to lower solubility in most solvents.

Overall, the solubility characteristics of 2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid highlight the importance of interplay between structural features and solvent conditions, emphasizing that it is essential to consider these aspects during experimental assessments.

Interesting facts

Interesting Facts about 2-Chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic Acid

This fascinating compound, known for its complex structure and unique properties, is a member of the sulfonamide class, which entails a sulfonyl group attached to an amino compound. Its unique combination of elements and functional groups allows it to exhibit various biological activities, making it an intriguing subject for research and application.

Key Characteristics:

  • Pharmaceutical Significance: This compound is notable for its potential application in pharmaceutical research. Sulfonamide derivatives have been explored for their antibacterial and antiviral properties.
  • Chirality: The presence of multiple stereocenters, such as in this compound (specifically in the piperidine ring), may confer distinct pharmacological profiles for different stereoisomers. As noted in many studies, chirality plays a crucial role in the biological activity of drug candidates.
  • Electronic Effects: The introduction of a chlorine substituent can significantly affect the compound's electron density, influencing its reactivity and interaction with biological targets.

In addition to its medicinal properties, the structural characteristics of 2-chloro-5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid pose intriguing questions regarding its interaction mechanisms. Research exploring these interactions could provide valuable insights into optimizing its therapeutic uses.

As scientists continue to investigate the myriad possibilities offered by this compound, one thing remains certain: the intricate interplay between its structure and function makes it an essential component of contemporary chemical research.

In the words of chemists, *"Understanding complex compounds leads to new breakthroughs in drug design and development."* Keep an eye on this compound as we uncover more of its secrets!

Synonyms
Tibric acid
37087-94-8
Acide tibrique
Acido tibrico
Acidum tibricum
LK312SQ24Z
CP-18,524
CP-18524
RefChem:930634
rel-2-Chloro-5-(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)benzoic acid
253-344-0
Tibric acid (nonstereospecific)
EINECS 246-198-4
BRN 1596377
Benzoic acid, 2-chloro-5-((3,5-dimethyl-1-piperidinyl)sulfonyl)-, (cis)-
2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid
BENZOIC ACID, 2-CHLORO-5-(3,5-DIMETHYLPIPERIDINOSULFONYL)-
2-chloro-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid
5-20-04-00192 (Beilstein Handbook Reference)
tibricacid
Acide tibrique [INN-French]
Acido tibrico [INN-Spanish]
Acidum tibricum [INN-Latin]
CCRIS 589
EINECS 253-344-0
UNII-LK312SQ24Z
Tibric acid [USAN:INN:BAN]
2-Chloro-5-((cis-3,5-dimethylpiperidino)sulfonyl)benzoic acid
TIBRIC ACID [INN]
Tibric acid (USAN/INN)
TIBRIC ACID [USAN]
SCHEMBL635365
TIBRIC ACID [WHO-DD]
orb1695053
CHEMBL2104748
DTXSID1020277
SCHEMBL30362022
AKOS040754208
DA-78464
HY-121755
CS-0083160
NS00030153
D06133
2-chloro-5-(3,5-dimethylpiperidinosulfonyl)benzoate
Q27283035
2-Chloro-5-(cis-3,5-dimethylpiperidinosulfonyl)benzoic Acid
2-chloro-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid
2-chloro-5-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl}benzoic acid