N-(4-fluorophenyl)benzenesulfonamide

Base Information

• Chemical Name: N-(4-fluorophenyl)benzenesulfonamide
• CAS No.: 312-63-0
• Molecular Formula: C12H10FNO2S
• Molecular Weight: 251.281
• Hs Code.: 2935009090
• European Community (EC) Number: 667-877-5
• NSC Number: 164389
• DSSTox Substance ID: DTXSID40304155
• Nikkaji Number: J2.736.959F
• Wikidata: Q82049880
• ChEMBL ID: CHEMBL367580
• Mol file: 312-63-0.mol

Synonyms:N-(4-fluorophenyl)benzenesulfonamide;312-63-0;ELN484228;4'-fluorobenzenesulfonanilide;NSC164389;ELN 484228;Cambridge id 5265852;CBDivE_015342;CHEMBL367580;SCHEMBL2568291;DTXSID40304155;BCP28956;MFCD00091019;s6798;STK401855;AKOS000383212;N-(4-Fluoro-phenyl)-benzenesulfonamide;NSC 164389;NSC-164389;SB81313;MS-23551;HY-115038;BB 0258891;CS-0034467;ELN-484228;ELN 48422;ELN484228, >=98% (HPLC);EN300-15997;A17071;E98633;AE-641/03252051;SR-01000202197;SR-01000202197-1;Z45631373

Chemical Property of N-(4-fluorophenyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.02E-06mmHg at 25°C
• Boiling Point: 379.1°Cat760mmHg
• Flash Point: 183°C
• PSA: 54.55000
• Density: 1.374g/cm³
• LogP: 3.78030
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble20mg/mL, clear
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 251.04162790
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

ELN484228 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F
• Uses: ELN484228, is α-synuclein blocker. α-Synucleinis a key protein in Parkinson’s disease.

Technology Process of N-(4-fluorophenyl)benzenesulfonamide

There total 32 articles about N-(4-fluorophenyl)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: 91.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + benzenesulfonyl chloride (98-09-9) → N-(4-fluorophenyl)benzenesulfonamide (312-63-0)

Guidance literature:

With iron; In water; for 0.833333h;

Reference yield: 91.0%

benzenesulfonyl chloride (98-09-9) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)benzenesulfonamide (312-63-0)

Guidance literature:

In pyridine; at 100 ℃; for 0.5h;

Reference yield: 89.0%

sodium benzenesulfonate (873-55-2) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)benzenesulfonamide (312-63-0)

Guidance literature:

With iodine; In 1,2-dichloro-ethane; at 25 ℃; for 16h;

DOI:10.1002/adsc.201400801

upstream raw materials:

4-fluoroaniline

N-(4-nitrophenyl)benzenesulfonamide

(FC₆H₄)N(HgC₆H₅)SO₂C₆H₅

N-phenylbenzenesulfonamide

Downstream raw materials:

N-phenylbenzenesulfonamide

(FC₆H₄)N(HgC₆H₅)SO₂C₆H₅

N-(4-(dimethylamino)phenyl)benzenesulfonamide

N-chloro-N-(4-fluorophenyl)benzenesulphonamide

Refernces

• 1、 Chen, Kai,Chen, Wei,Han, Bing,Chen, Wanzhi,Liu, Miaochang,Wu, Huayue. "Sequential C-S and S-N Coupling Approach to Sulfonamides". supporting information. p. 1841 - 1845. Retrieved 2020/03/04.
• 2、 -. "Method for coupling nitroaromatic compound and boric acid compound to synthesize sulfonamide compound". Paragraph 0052-0056. . Retrieved 2019/11/12.