3-(Aminosulfonyl)benzenesulfonyl chloride

Base Information

• Chemical Name: 3-(Aminosulfonyl)benzenesulfonyl chloride
• CAS No.: 62646-47-3
• Molecular Formula: C6H6ClNO4S2
• Molecular Weight: 255.703
• European Community (EC) Number: 835-214-0
• DSSTox Substance ID: DTXSID00514955
• Wikidata: Q82375568
• Mol file: 62646-47-3.mol

Synonyms:62646-47-3;3-(aminosulfonyl)benzenesulfonyl chloride;3-sulfamoylbenzenesulfonyl chloride;3-Sulfamoylbenzene-1-sulfonyl chloride;3-sulfamoyl-benzenesulfonyl chloride;Benzenesulfonyl chloride, 3-(aminosulfonyl)-;SCHEMBL1134304;DTXSID00514955;PWSQDFHPBVRXTQ-UHFFFAOYSA-N;MFCD09040502;3-Sulfamoylbenzene-1-sulfonylchloride;AKOS000200167;AS-18025;EN300-27079;A868413;3-(aminosulfonyl)benzenesulfonyl chloride, AldrichCPR;Z235344727

Chemical Property of 3-(Aminosulfonyl)benzenesulfonyl chloride

Chemical Property:

• PSA: 111.06000
• LogP: 3.12340
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.9426777
• Heavy Atom Count: 14
• Complexity: 391

Purity/Quality:

97% ^*data from raw suppliers

3-Sulfamoylbenzene-1-sulfonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)N

Technology Process of 3-(Aminosulfonyl)benzenesulfonyl chloride

There total 1 articles about 3-(Aminosulfonyl)benzenesulfonyl chloride 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:

→ 3-(aminosulfonyl)benzenesulfonyl chloride (62646-47-3)

Guidance literature:

3-Sulfamoyl-anilin, 1. NaNO2, wss. HCl, 2. SO2, CuCl2;

DOI:10.1021/jm00339a021

Reference yield: 90.0%

3-(aminosulfonyl)benzenesulfonyl chloride (62646-47-3) + N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline (1481-11-4) → benzene-1,3-disulfonic acid 1-amide 3-{methyl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-amide}

Guidance literature:

With 2,6-dimethylpyridine; In acetone; at 60 ℃; for 24h;

DOI:10.1016/j.bmcl.2005.12.015

Reference yield: 29.0%

3-(aminosulfonyl)benzenesulfonyl chloride (62646-47-3) + 2-((dimethylamino)methyl)quinolin-8-amine → N-(2-((dimethylamino)methyl)quinolin-8-yl)benzene-1,3-disulfonamide

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2020.127110

Downstream raw materials:

3-[N'-(1,1-dioxo-1,2(4)-dihydro-1λ⁶-benzo[1,2,4]thiadiazine-3-carbonyl)-hydrazinosulfonyl]-benzenesulfonamide

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