CAS 857041-84-0

2-Bromo-5-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]benzoic acid

Description:

2-Bromo-5-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a bromine atom and a sulfonamide group. The presence of the tetrahydro-2-furanyl group indicates that it contains a furan ring that has undergone hydrogenation, contributing to its unique reactivity and potential biological activity. This compound is likely to exhibit moderate to high polarity due to the sulfonyl and carboxylic acid functional groups, which can engage in hydrogen bonding and ionic interactions. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as sulfonamides are known for their antibacterial properties. Additionally, the bromine substituent may enhance the compound's lipophilicity, influencing its pharmacokinetic properties. Overall, 2-Bromo-5-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]benzoic acid represents a versatile scaffold for further chemical modifications and biological evaluations.

Formula: C₁₂H₁₄BrNO₅S

InChI: InChI=1S/C12H14BrNO5S/c13-11-4-3-9(6-10(11)12(15)16)20(17,18)14-7-8-2-1-5-19-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,16)

InChI key: InChIKey=VIUSQQLCOZSWDR-UHFFFAOYSA-N

SMILES: S(NCC1CCCO1)(=O)(=O)C2=CC(C(O)=O)=C(Br)C=C2

Synonyms:

• 2-Bromo-5-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]benzoic acid
• Benzoic acid, 2-bromo-5-[[[(tetrahydro-2-furanyl)methyl]amino]sulfonyl]-