Sulfabenzamide

Base Information

• Chemical Name: Sulfabenzamide
• CAS No.: 127-71-9
• Molecular Formula: C13H12N2O3S
• Molecular Weight: 276.316
• Hs Code.: 29350090
• European Community (EC) Number: 204-859-4
• NSC Number: 757322,74587
• UNII: G58F8OPL4I
• DSSTox Substance ID: DTXSID7045287
• Nikkaji Number: J5.400C
• Wikipedia: Sulfabenzamide
• Wikidata: Q7636176
• NCI Thesaurus Code: C87216
• Metabolomics Workbench ID: 152356
• ChEMBL ID: CHEMBL1243
• Mol file: 127-71-9.mol

Synonyms:benzamide, N-((4-aminophenyl)sulfonyl)-;sulfabenzamide

Chemical Property of Sulfabenzamide

Chemical Property:

• Appearance/Colour: white to almost white powder
• Melting Point: 180-184 °C
• Refractive Index: 1.635
• PKA: 4.57(at 25℃)
• PSA: 97.64000
• Density: 1.37 g/cm³
• LogP: 3.44040
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 0.3 g/L (20 ºC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 276.05686342
• Heavy Atom Count: 19
• Complexity: 402

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sulfabenzamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
• Uses: Has anti-bacterial activity. It is used for the same indications, primarily in the form of ointments for vaginal infections. A synonym of this drug is sulfabenzide.

Technology Process of Sulfabenzamide

There total 15 articles about Sulfabenzamide 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: 49.0%

benzoic acid phenyl ester (93-99-2) + sulfanilamide (63-74-1) → sulfabenzamide (127-71-9)

Guidance literature:

With potassium carbonate; at 180 ℃; for 0.333333h;

DOI:10.1021/ma0498058

Reference yield:

N-benzoyl-4-(acetamido)benzenesulfonamide (5661-33-6) → sulfabenzamide (127-71-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01265a107

Reference yield:

benzyl 4-(N-benzoylsulfamoyl)phenylcarbamate (1449004-77-6) → sulfabenzamide (127-71-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1039/c3ob40236c

upstream raw materials:

1-methyl-4-nitrosobenzene

N-benzoyl-sulfanilic acid benzoylamide

N-benzoyl-4-(acetamido)benzenesulfonamide

benzoyl chloride

Downstream raw materials:

N-(4-(N-benzoylsulfamoyl)phenylcarbamothioyl)-2-(4-bromo-2-chlorophenoxy) acetamide

C₂₂H₁₈N₂O₆S

N-benzoyl-4-(4,5,6,7-tetrafluoro-1,3-dioxoisoindolin-2-yl)benzenesulfonamide

Refernces

• 1、 Blavier, Jeremy,Charles, Ma?lle,Hanson, Julien,Kronenberger, Thales,Laschet, Céline,Müller, Christa E.,Pillaiyar, Thanigaimalai,Rosato, Francesca,Wozniak, Monika. "Structure-activity relationships of agonists for the orphan G protein-coupled receptor GPR27". . . Retrieved 2021/08/27.
• 2、 Rahman, Md. Khalilur,Aiba, Gentaro,Susan, Md. Abu Bin Haaan,Sasaya, Yuko,Ota, Ken-Ichiro,Watanabe, Masayoshi. "Synthesis, characterization, and copolymerization of a series of novel acid monomers based on sulfonimides for proton conducting membranes". . p. 5572 - 5577. Retrieved 2007/10/03.