Sulfabenz

Base Information

• Chemical Name: Sulfabenz
• CAS No.: 127-77-5
• Molecular Formula: C12H12N2O2S
• Molecular Weight: 248.305
• Hs Code.: 2935009090
• European Community (EC) Number: 204-865-7
• NSC Number: 2619
• UNII: 2Y70F6K03F
• DSSTox Substance ID: DTXSID9046287
• Nikkaji Number: J5.401A
• Wikidata: Q27255797
• NCI Thesaurus Code: C152452
• ChEMBL ID: CHEMBL359839
• Mol file: 127-77-5.mol

Synonyms:4-Amino-N-phenylbenzenesulfonamide;Sulfabenz;127-77-5;4-Amino-N-phenyl-benzenesulfonamide;Benzenesulfonamide, 4-amino-N-phenyl-;SULFANILANILIDE;Eastman-4770;Sulfa Vet;Solfabenzo;Sulfabenzo;Sulfabenzum;p-Aminobenzenesulfonanilide;4-Aminobenzenesulfonanilide;NSC-2619;N(sup1)-Phenylsulfanilamide;4-amino-N-phenylbenzene-1-sulfonamide;Solfabenzo [DCIT];p-Amino-N-phenylbenzenesulfonamide;Sulfabenz [USAN:INN];Sulfabenzum [INN-Latin];Sulfabenzo [INN-Spanish];UNII-2Y70F6K03F;DTXSID9046287;NSC2619;2Y70F6K03F;NSC 2619;EINECS 204-865-7;NCGC00160668-01;DTXCID7026287;CAS-127-77-5;Sulfanilsaure-anilid;[(4-aminophenyl)sulfonyl]phenylamine;component of Sulfa Vet;SULFABENZ [INN];SULFABENZ [MI];Sulfabenz (USAN/INN);SULFABENZ [USAN];MLS004754478;SCHEMBL193566;CHEMBL359839;AMY4775;HMS1757M22;4-amino-N-phenylbenzenesulphonamide;Tox21_111972;BBL014308;MFCD00233654;STK122969;AKOS000117120;Tox21_111972_1;NCGC00160668-03;BP-21243;SMR000150219;VS-04262;CS-0186941;EN300-06306;4-Amino-N-phenylbenzenesulfonamide, AldrichCPR;D05945;D83866;Q27255797;Z56923284;VVM

Chemical Property of Sulfabenz

Chemical Property:

• Vapor Pressure: 4.05E-08mmHg at 25°C
• Melting Point: 200°
• Refractive Index: 1.669
• Boiling Point: 445.1 °C at 760 mmHg
• PKA: 10.94 (in 50% aq alc); 11.59 (in 80% aq alc)
• Flash Point: 223 °C
• PSA: 80.57000
• Density: 1.373 g/cm³
• LogP: 3.80460
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 7g/L(100 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-n-phenyl-benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
• Uses: Antibacterial, coccidiostat (for poultry).

Technology Process of Sulfabenz

There total 17 articles about Sulfabenz 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: 99.0%

N-nosylaniline (1576-44-9) → p-aminobenzenesulphonanilide (127-77-5)

Guidance literature:

With hydrogenchloride; tin; In ethanol; water; Reflux;

DOI:10.1016/j.ejmech.2015.10.050

Reference yield: 95.0%

N-[4-(phenylsulfamoyl)phenyl]acetamide (2080-33-3) → p-aminobenzenesulphonanilide (127-77-5)

Guidance literature:

With hydrogenchloride; Heating;

Reference yield: 84.0%

nitrobenzene (98-95-3,26969-40-4) + sodium 4-aminobenzenesulfinic acid → p-aminobenzenesulphonanilide (127-77-5)

Guidance literature:

With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; sodium hydrogen sulfite; iron(II) chloride; In dimethyl sulfoxide; at 60 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.5b00130

upstream raw materials:

4-chloro-N-phenyl-benzenesulfonamide

N,N'-diphenylsulfamide

aniline

N-[4-(phenylsulfamoyl)phenyl]acetamide

Refernces

• 1、 Bult,Klasen. "Structures of silver sulfonamides". . p. 284 - 287. Retrieved 1978.
• 2、 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.
• 3、 Ge, Shushan,Guo, Wenjie,Hu, Yue,Lai, Yisheng,Li, Yuezhen,Liu, Wen,Ma, Xuewei,Wang, Fang,Wang, Yan,Xu, Qiang,Zheng, Yingbo,Zhong, Haiqing,Zou, Yi. "Discovery of secondary sulphonamides as IDO1 inhibitors with potent antitumour effects in vivo". . p. 1240 - 1257. Retrieved 2020/06/18.