N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide

Base Information

• Chemical Name: N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide
• CAS No.: 100318-71-6
• Molecular Formula: C12H17 N3 O3 S
• Molecular Weight: 283.351
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60360692
• Wikidata: Q82142558
• ChEMBL ID: CHEMBL1084912
• Mol file: 100318-71-6.mol

Synonyms:100318-71-6;N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide;N-(4-piperazin-1-ylsulfonylphenyl)acetamide;N-[4-(piperazine-1-sulfonyl)phenyl]acetamide;N-(4-(Piperazin-1-ylsulfonyl)phenyl)acetamide;N-[4-(piperazin-1-ylsulfonyl)phenyl]acetamide;n-(4-(1-piperazinylsulfonyl)phenyl)acetamide;N-[4-(1-Piperazinylsulfonyl)phenyl]acetamide;BAS 03362901;LASSBio-1299;Acetamide, N-[4-(1-piperazinylsulfonyl)phenyl]-;CHEMBL1084912;DTXSID60360692;BBL018690;MFCD04113956;STK723953;AKOS000300307;VS-06727;FT-0677237;EN300-302951;N-[4-(PIPERAZINE-1-SULFONYL)PHENYL]-ACETAMIDE

Chemical Property of N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide

Chemical Property:

• PSA: 86.89000
• LogP: 1.65940
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 283.09906259
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

97% ^*data from raw suppliers

N-[4-[1- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2

Technology Process of N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide

There total 7 articles about N-[4-(Piperazine-1-sulfonyl)-phenyl]-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: 50.0%

piperazine (110-85-0) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-[4-(piperazin-4-ylsulfonyl)phenyl]acetamide (100318-71-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2009.02.026

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-[4-(piperazin-4-ylsulfonyl)phenyl]acetamide (100318-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone

2: aqueous NaOH

With sodium hydroxide; acetone;

Reference yield:

Acetanilid (103-84-4) → N-[4-(piperazin-4-ylsulfonyl)phenyl]acetamide (100318-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfonic acid / 2 h

2: dichloromethane / 1 h / 0 °C

With chlorosulfonic acid; In dichloromethane;

DOI:10.1021/acs.molpharmaceut.8b01021

upstream raw materials:

piperazine

p-acetylaminobenzenesulfonyl chloride

Acetanilid

aniline

Downstream raw materials:

3-(4-(4-(acetylamino)benzenesulfonyl)piperazinyl)-1-bromopropane

C₂₀H₂₉N₅O₅S

C₂₁H₃₁N₅O₄S

C₂₇H₃₅N₅O₃S