5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid

Base Information

• Chemical Name: 5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid
• CAS No.: 138964-56-4
• Molecular Formula: C14H13NO4S
• Molecular Weight: 291.328
• UNII: BQ6W7H7DKV
• ChEMBL ID: CHEMBL378927
• Metabolomics Workbench ID: 150494
• Pharos Ligand ID: DY8T2AW1XK1G
• Wikidata: Q27096540
• Mol file: 138964-56-4.mol

Synonyms:5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID;138964-56-4;2-benzenesulfonamido-5-methylbenzoic acid;1yw7;sulfonamide compound, 4;5-methyl-2-(phenylsulfonamido)benzoic acid;2-(benzenesulfonamido)-5-methylbenzoic acid;BQ6W7H7DKV;A41;CHEMBL378927;SCHEMBL2009251;Anthranilic Acid Sulfonamide, 4;BDBM17477;HMS3604F08;AKOS000202786;DB07313;PD005356;NS00071208;A444148;EN300-17934085;Benzoic acid, 5-methyl-2-[(phenylsulfonyl)amino]-;Q27096540;Z316093506

Chemical Property of 5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 291.05652907
• Heavy Atom Count: 20
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O

Technology Process of 5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid

There total 5 articles about 5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.7%

2-Amino-5-methylbenzoic acid (2941-78-8) + benzenesulfonyl chloride (98-09-9) → 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid (138964-56-4)

Guidance literature:

With sodium carbonate; In water; at 60 - 80 ℃; for 6.03333h; Heating / reflux;

Reference yield:

6-Methyl-1H-quinoline-2,4-dione (138964-50-8) → 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid (138964-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂, NaOH, dil. HCl / H₂O / 0.5 h / 0 °C

2: 2) NaOH / 1) acetone, heating, 0.5 h, 2) H₂O, heating, 0.5 h

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water;

Reference yield:

6-Methyl-1H-quinoline-2,3,4-trione 3-oxime (138964-53-1) + benzenesulfonyl chloride (98-09-9) → 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid (138964-56-4)

Guidance literature:

With sodium hydroxide; Multistep reaction; 1) acetone, heating, 0.5 h, 2) H₂O, heating, 0.5 h;

upstream raw materials:

6-Methyl-1H-quinoline-2,3,4-trione 3-oxime

benzenesulfonyl chloride

4-hydroxy-6-methylquinolin-2(1H)-one

p-toluidine

Downstream raw materials:

C₁₄H₁₂ClNO₃S

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