N-Phenethylbenzenesulfonamide

Base Information

• Chemical Name: N-Phenethylbenzenesulfonamide
• CAS No.: 77198-99-3
• Molecular Formula: C14H15 N O2 S
• Molecular Weight: 261.345
• Hs Code.: 2935009090
• NSC Number: 77939
• DSSTox Substance ID: DTXSID60291775
• Nikkaji Number: J573.012K
• Wikidata: Q82029830
• ChEMBL ID: CHEMBL1608998
• Mol file: 77198-99-3.mol

Synonyms:N-Phenethylbenzenesulfonamide;N-(2-Phenylethyl)benzenesulfonamide;77198-99-3;Benzenesulfonamide,N-(2-phenylethyl)-;NSC77939;TimTec1_000764;NCIOpen2_004547;Oprea1_019001;Oprea1_083535;MLS000549601;SCHEMBL412302;CHEMBL1608998;DTXSID60291775;HMS1536C16;HMS2321C04;CDA19899;MFCD00963360;N-PHENETHYL-BENZENESULFONAMIDE;NSC-77939;STK007178;AKOS000436625;N-(2-Phenylethyl)benzenesulfonamide #;SB81994;NCGC00175143-01;SMR000113502;CS-0237765;EN300-186807;AK-968/10789017;BRD-K62208648-001-01-5;Z45509457

Chemical Property of N-Phenethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.39E-07mmHg at 25°C
• Boiling Point: 422.6°C at 760 mmHg
• Flash Point: 209.4°C
• PSA: 54.55000
• Density: 1.203g/cm³
• LogP: 3.67930
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

N-(2-PHENYLETHYL)BENZENESULFONAMIDE 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)CCNS(=O)(=O)C2=CC=CC=C2

Technology Process of N-Phenethylbenzenesulfonamide

There total 11 articles about N-Phenethylbenzenesulfonamide 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: 98.0%

N-phenethylbenzenesulfinamide → N-(2-phenylethyl)benzenesulfonamide (77198-99-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2011.02.060

Reference yield: 94.0%

C14H14ClNO2S → N-(2-phenylethyl)benzenesulfonamide (77198-99-3)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; at 35 ℃;

DOI:10.1002/cjoc.201700114

Reference yield: 91.0%

2-phenylethanol (60-12-8) + 4-methylbenzensulphonamide potassium salt (29281-83-2) → N-(2-phenylethyl)benzenesulfonamide (77198-99-3)

Guidance literature:

With triethylamine; N-tosylimidazole; In N,N-dimethyl-formamide; Reflux;

DOI:10.1080/10426507.2013.829828

upstream raw materials:

phenethylamine

benzenesulfonyl chloride

2-phenyl-N-(phenylsulfonyl)acetamide

benzenesulfonic acid

Downstream raw materials:

2-Benzenesulfonyl-1-(4-chloro-phenyl)-1,2,3,4-tetrahydro-isoquinoline

2-Benzenesulfonyl-1-(4-bromo-phenyl)-1,2,3,4-tetrahydro-isoquinoline

1-benzenesulfonyl-2,3-dihydro-1H-indole

2-Benzenesulfonyl-1-methyl-1,2,3,4-tetrahydro-isoquinoline