2-Methoxy-5-sulfamoylbenzamide

Base Information

• Chemical Name: 2-Methoxy-5-sulfamoylbenzamide
• CAS No.: 52395-25-2
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.24100
• UNII: 3ZFR2SNF7B
• Wikidata: Q107837651
• ChEMBL ID: CHEMBL2139902
• Mol file: 52395-25-2.mol

Synonyms:2-methoxy-5-sulfamoylbenzamide;52395-25-2;5-(aminosulfonyl)-2-methoxybenzamide;5-aminosulfonyl-2-methoxybenzamide;3ZFR2SNF7B;MLS000704379;2-Methoxy-5-sulphamoylbenzamide;Benzamide, 5-(aminosulfonyl)-2-methoxy-;SMR000230492;Sulpiride Imp. E (EP);Sulpiride Impurity E;Sulpride Impurity E;Opera_ID_1668;UNII-3ZFR2SNF7B;Sulpiride impurity E [EP];Oprea1_871656;CHEMBL2139902;SCHEMBL11408239;HMS2611C04;AKOS008937553;SULPIRIDE IMPURITY E [EP IMPURITY];FT-0672203;EN300-270522;AE-641/30110001;Z33545916

Chemical Property of 2-Methoxy-5-sulfamoylbenzamide

Chemical Property:

• Melting Point: 245-246℃ (ethanol water )
• Boiling Point: 437.3±55.0 °C(Predicted)
• PKA: 9.99±0.60(Predicted)
• PSA: 121.85000
• Density: 1.429±0.06 g/cm3(Predicted)
• LogP: 2.10680
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

95% ^*data from raw suppliers

2-Methoxy-5-sulfamoylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N
• Uses: 2-Methoxy-5-sulfamoylbenzamide is a metabolite of the antipsychotic drug, Sulpiride (S689145).

Technology Process of 2-Methoxy-5-sulfamoylbenzamide

There total 1 articles about 2-Methoxy-5-sulfamoylbenzamide 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:

2-methoxybenzoic acid methyl ester (606-45-1) → 5-(aminosulfonyl)-2-methoxybenzamide (52395-25-2)

Guidance literature:

With chlorosulfonic acid; ammonium hydroxide; Yield given. Multistep reaction; 1.) chloroform, 30 min at 20 deg C, then 2 h at 35-40 deg C; 2.) 20-25 deg C;

upstream raw materials:

2-methoxybenzoic acid methyl ester

Refernces