CAS 51012-29-4

2-[[(4-Bromophenyl)sulfonyl]amino]benzoic acid

Description:

2-[[(4-Bromophenyl)sulfonyl]amino]benzoic acid, with the CAS number 51012-29-4, is an organic compound characterized by its sulfonamide functional group and carboxylic acid moiety. This compound features a benzoic acid backbone substituted with a sulfonamide group, where a 4-bromophenyl group is attached to the sulfur atom. The presence of the bromine atom introduces notable electrophilic properties, which can influence the compound's reactivity and biological activity. The sulfonamide group contributes to its potential as a pharmacophore, often associated with antibacterial and anti-inflammatory properties. Additionally, the carboxylic acid group can participate in hydrogen bonding, enhancing solubility in polar solvents. This compound may exhibit various physical properties, including melting point and solubility, which are influenced by its molecular structure and substituents. Overall, 2-[[(4-Bromophenyl)sulfonyl]amino]benzoic acid is of interest in medicinal chemistry and may serve as a lead compound for further drug development.

Formula: C₁₃H₁₀BrNO₄S

InChI: InChI=1S/C13H10BrNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)

InChI key: InChIKey=RPCZXFGZZGTKIV-UHFFFAOYSA-N

SMILES: N(S(=O)(=O)C1=CC=C(Br)C=C1)C2=C(C(O)=O)C=CC=C2

Synonyms:

• Benzoic acid, 2-[[(4-bromophenyl)sulfonyl]amino]-
• N-p-Bromobenzenesulfonylanthranilic acid
• 2-(4-Bromobenzenesulfonamido)benzoic acid
• 2-[[(4-Bromophenyl)sulfonyl]amino]benzoic acid

2-(4-Bromobenzenesulfonamido)benzoic acid

CAS: 51012-29-4

2-(4-Bromobenzenesulfonamido)benzoic acid

Purity: 97%

Molecular weight: 356.19g/mol

Ref: 54-OR1036413

2-(4-Bromobenzenesulfonamido)benzoic acid

CAS: 51012-29-4

Purity: 97%

Molecular weight: 356.1900024

Ref: 10-F641349

2-(4-Bromobenzenesulfonamido)benzoic acid

CAS: 51012-29-4

2-(4-Bromobenzenesulfonamido)benzoic acid is a centrosymmetric molecule that has a hydrogen bond and a crystal structure. It is made up of two molecules of benzoic acid, which are bonded together in a dimer. The hydrogen bonds form between the hydroxyl groups on the benzene rings, and the molecule has two dihedral angles. The molecule is asymmetric due to the different positions of the bromine atoms, which cause it to have an undefined rotation axis.

Formula: C₁₃H₁₀BrNO₄S

Purity: Min. 95%

Molecular weight: 356.19 g/mol

Ref: 3D-BCA01229