N-3-Pyridylbenzenesulfonamide

Base Information

• Chemical Name: N-3-Pyridylbenzenesulfonamide
• CAS No.: 53472-19-8
• Molecular Formula: C11H10 N2 O2 S
• Molecular Weight: 234.279
• NSC Number: 364023
• DSSTox Substance ID: DTXSID50320760
• Nikkaji Number: J3.030.466G
• Wikidata: Q82078215
• ChEMBL ID: CHEMBL1438072
• Mol file: 53472-19-8.mol

Synonyms:53472-19-8;N-3-Pyridylbenzenesulfonamide;N-pyridin-3-ylbenzenesulfonamide;N-(3-pyridyl)benzenesulfonamide;N-(3-Pyridinyl)benzenesulfonamide;N-(pyridin-3-yl)benzenesulfonamide;NSC 364023;MLS-0090847.0001;N-Pyridin-3-yl-benzenesulfonamide;(phenylsulfonyl)-3-pyridylamine;NSC364023;TimTec1_003748;Oprea1_168943;Oprea1_437579;MLS000716724;cid_339079;SCHEMBL1094118;CHEMBL1438072;BDBM45877;DTXSID50320760;HMS1544K08;HMS2662H09;CCG-25870;MFCD00545380;N-(3-Pyridinyl)benzenesulfonamide #;STK180741;AKOS000673370;NSC-364023;NCGC00161736-01;SMR000278241;FT-0750292;AG-664/02669038;CU-00000000105-1

Chemical Property of N-3-Pyridylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.36E-07mmHg at 25°C
• Boiling Point: 407.8°Cat760mmHg
• Flash Point: 200.4°C
• PSA: 67.44000
• Density: 1.363g/cm³
• LogP: 3.03620
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.04629874
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

N-3-PYRIDYLBENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-3-Pyridylbenzenesulfonamide

There total 7 articles about N-3-Pyridylbenzenesulfonamide 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: 89.0%

3-Bromopyridine (626-55-1,163928-56-1) + benzenesulfonamide (98-10-2) → N-(pyridin-3-yl)benzenesulfonamide (53472-19-8)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); bis(2-phenylpyridinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate; N,N,N',N'-tetramethylguanidine; In acetonitrile; at 35 ℃; for 8h; Temperature; Inert atmosphere; Irradiation; Glovebox;

DOI:10.1002/anie.201800699

Reference yield: 89.0%

benzenesulfonamide (98-10-2) + 3-pyridylboronic acid (1692-25-7) → N-(pyridin-3-yl)benzenesulfonamide (53472-19-8)

Guidance literature:

With copper(II) acetate monohydrate; potassium carbonate; In water; for 2h; Reflux; Green chemistry;

DOI:10.1055/s-0033-1340475

Reference yield: 85.0%

pyridin-3-ylamine (462-08-8) + phenylsulfonyl fluoride (368-43-4) → N-(pyridin-3-yl)benzenesulfonamide (53472-19-8)

Guidance literature:

With calcium(II) bis(trifluoromethanesulfonyl)imide; In tert-Amyl alcohol; at 60 ℃; for 24h;

DOI:10.1021/acs.orglett.8b01520

upstream raw materials:

pyridin-3-ylamine

benzenesulfonyl chloride

3-Bromopyridine

benzenesulfonamide

Refernces

• 1、 -. "Method for coupling nitroaromatic compound and boric acid compound to synthesize sulfonamide compound". Paragraph 0112-0116. . Retrieved 2019/11/12.
• 2、 Mukherjee, Paramita,Woroch, Cristian P.,Cleary, Leah,Rusznak, Mark,Franzese, Ryan W.,Reese, Matthew R.,Tucker, Joseph W.,Humphrey, John M.,Etuk, Sarah M.,Kwan, Sabrina C.,Am Ende, Christopher W.,Ball, Nicholas D.. "Sulfonamide Synthesis via Calcium Triflimide Activation of Sulfonyl Fluorides". supporting information. p. 3943 - 3947. Retrieved 2018/07/15.