N-(3-aminophenyl)benzenesulfonamide

Base Information

• Chemical Name: N-(3-aminophenyl)benzenesulfonamide
• CAS No.: 104997-09-3
• Molecular Formula: C12H12N2O2S
• Molecular Weight: 248.305
• ChEMBL ID: CHEMBL378618
• DSSTox Substance ID: DTXSID40474387
• Nikkaji Number: J3.030.465I
• Mol file: 104997-09-3.mol

Synonyms:N-(3-aminophenyl)benzenesulfonamide;104997-09-3;CHEMBL378618;Benzenesulfonamide, N-(3-aminophenyl)-;3-benzenesulfonylaminoaniline;3-phenylsulfonamidoaniline;SCHEMBL2723618;DTXSID40474387;RUYQFOIEMVGGQT-UHFFFAOYSA-N;BDBM50193461;AKOS000132984;SB80940;EN300-40178;J-001329;Z239122898

Chemical Property of N-(3-aminophenyl)benzenesulfonamide

Chemical Property:

• PSA: 80.57000
• LogP: 3.80460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

N-(3-Aminophenyl)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N

Technology Process of N-(3-aminophenyl)benzenesulfonamide

There total 7 articles about N-(3-aminophenyl)benzenesulfonamide 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: 95.0%

N-(3-nitrophenyl)benzenesulfonamide (80-37-5) → N-(3-aminophenyl)benzenesulfonamide (104997-09-3)

Guidance literature:

With palladium 10% on activated carbon; hydrazine hydrate; for 1h; Inert atmosphere; Reflux;

Reference yield: 90.0%

m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) + benzenesulfonyl chloride (98-09-9) → N-(3-aminophenyl)benzenesulfonamide (104997-09-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1039/c3dt32876g

Reference yield: 62.0%

benzenesulfonamide (98-10-2) + m-Bromoaniline (591-19-5) → N-(3-aminophenyl)benzenesulfonamide (104997-09-3)

Guidance literature:

With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In acetonitrile; at 70 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.10.113

upstream raw materials:

N-(3-nitrophenyl)benzenesulfonamide

benzenesulfonamide

m-Bromoaniline

m-phenylenediamine

Downstream raw materials:

N-(3-Benzensulfonylaminophenyl)-(2-chloro-5-nitrophenyl)carboxamide

{[N-(3-aminophenyl)benzenesulfonamide](p-cymene)dichlororuthenium(II)}

N-[2-[3-(benzenesulfonamido)anilino]pyrimidin-5-yl]-3,4-dimethyl-1H-pyrazole-5-carboxamide