N-[(4-sulfamoylphenyl)methyl]acetamide

Base Information

• Chemical Name: N-[(4-sulfamoylphenyl)methyl]acetamide
• CAS No.: 2015-14-7
• Molecular Formula: C9H12N2O3S
• Molecular Weight: 228.272
• Hs Code.: 2935009090
• European Community (EC) Number: 217-942-5
• NSC Number: 29831
• DSSTox Substance ID: DTXSID50173975
• Nikkaji Number: J38.353H
• ChEMBL ID: CHEMBL72962
• Mol file: 2015-14-7.mol

Synonyms:2015-14-7;N-[(4-sulfamoylphenyl)methyl]acetamide;N-[4-(aminosulfonyl)benzyl]acetamide;n-(4-sulfamoylbenzyl)acetamide;Acetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-;N-((4-(Aminosulphonyl)phenyl)methyl)acetamide;Acetamide, N-(p-sulfamoylbenzyl)-;EINECS 217-942-5;C9H12N2O3S;Acetamide, N-((4-(aminosulfonyl)phenyl)methyl)-;N-[[4-(AMINOSULPHONYL)PHENYL]METHYL]ACETAMIDE;NSC29831;T0S;N4-Acetylhomosulfanilamide;Oprea1_556804;CBDivE_009616;CHEMBL72962;SCHEMBL635110;DTXSID50173975;p-acetaminomethylbenzenesulfonamide;4-Acetamidomethylbenzenesulfonamide;HMS1749C02;NSC 29831;NSC-29831;AKOS000138767;.alpha.-Acetylamino-p-toluenesulfonamide;.alpha.-Acetamido-para-toluenesulfonamide;CS-0233340;EN300-13273;SR-01000025221;SR-01000025221-1;Z30932204

Chemical Property of N-[(4-sulfamoylphenyl)methyl]acetamide

Chemical Property:

• Melting Point: 177 °C
• Refractive Index: 1.568
• PKA: 10.11±0.10(Predicted)
• PSA: 97.64000
• Density: 1.315 g/cm³
• LogP: 2.14210
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.05686342
• Heavy Atom Count: 15
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

N-[(4-Sulfamoylphenyl)methyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

Technology Process of N-[(4-sulfamoylphenyl)methyl]acetamide

There total 6 articles about N-[(4-sulfamoylphenyl)methyl]acetamide 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: 72.0%

4-homosulfanilamide (138-39-6) + acetic anhydride (108-24-7) → N-(4-sulfamoylbenzyl)acetamide (2015-14-7)

Guidance literature:

In N,N-dimethyl-formamide; at 0 ℃; for 1.5h;

DOI:10.1039/d1cc01072g

Reference yield:

4-(acetamidomethyl)benzene-1-sulfonyl chloride (28073-51-0) → N-(4-sulfamoylbenzyl)acetamide (2015-14-7)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/ja01237a012

Reference yield:

N-(phenylmethyl)acetamide (588-46-5) → N-(4-sulfamoylbenzyl)acetamide (2015-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfuric acid

2: aqueous ammonia

With ammonium hydroxide; chlorosulphuric acid;

DOI:10.1021/ja01237a012

upstream raw materials:

4-(acetamidomethyl)benzene-1-sulfonyl chloride

4-(acetylamino-methyl)-benzenesulfinic acid

ammonia

acetic anhydride

Downstream raw materials:

N-(4-(N-((2-(p-tolylamino)thiazol-5-yl)methyl)sulfamoyl)benzyl)acetamide

4-aminomethyl-benzenesulfonic acid-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylamide)

Refernces

• 1、 CARTER,HEY. "The action of chlorine on aqueous solutions of ammonium sulphinates.". . p. 147 - 149. Retrieved 2007/10/05.