4-Piperazin-1-ylbenzenesulfonamide

Base Information

• Chemical Name: 4-Piperazin-1-ylbenzenesulfonamide
• CAS No.: 170856-87-8
• Molecular Formula: C10H15N3O2S
• Molecular Weight: 241.314
• European Community (EC) Number: 886-661-3
• DSSTox Substance ID: DTXSID60358539
• Nikkaji Number: J1.641.734C
• Wikidata: Q82139172
• ChEMBL ID: CHEMBL1500906
• Mol file: 170856-87-8.mol

Synonyms:4-(Piperazin-1-yl)benzenesulfonamide;121278-31-7;4-piperazin-1-ylbenzenesulfonamide;170856-87-8;4-(1-piperazinyl)benzenesulfonamide;4-PIPERAZINYL BENZENESULFONAMIDE;Benzenesulfonamide, 4-(1-piperazinyl)-;4-(piperazin-1-yl)-benzenesulfonamide;Piperazine moiety, 4;Oprea1_731187;AJ-333/09218004;MLS000704611;SCHEMBL4518266;CHEMBL1500906;BDBM84664;DTXSID60358539;UGGDHKASBRILQW-UHFFFAOYSA-N;HMS2645P21;WEA27831;MFCD01928044;4-(piperazin-1-yl) benzenesulfonamide;AKOS008105172;4-(piperazin-1-yl)benzene-1-sulfonamide;AM803043;BS-25082;SMR000231059;CS-0038199;CS-0062434;FT-0745485;EN300-39815;1-(4-Cyanophenyl)-3-(di(aziridin-1-yl)phosphoryl)urea;Z360053744

Chemical Property of 4-Piperazin-1-ylbenzenesulfonamide

Chemical Property:

• Melting Point: 210-211℃ (methanol )
• Boiling Point: 475.4±55.0 °C(Predicted)
• PKA: 10.74±0.10(Predicted)
• PSA: 83.81000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 1.91850
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 241.08849790
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

98% ^*data from raw suppliers

4-Piperazinylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)N

Technology Process of 4-Piperazin-1-ylbenzenesulfonamide

There total 3 articles about 4-Piperazin-1-ylbenzenesulfonamide 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: 94.0%

piperazine (110-85-0) + 4-fluorophenylsulphonamide (402-46-0) → 4-(piperazin-1-yl)-benzenesulfonamide (170856-87-8)

Guidance literature:

In water; at 100 ℃; for 24h;

Reference yield:

piperazine (110-85-0) + p-fluorobenzamide (824-75-9) → 4-(piperazin-1-yl)-benzenesulfonamide (170856-87-8)

Guidance literature:

In water;

Reference yield:

sulfanilamide (63-74-1) → 4-(piperazin-1-yl)-benzenesulfonamide (170856-87-8)

Guidance literature:

With ethanol;

upstream raw materials:

sulfanilamide

piperazine

4-fluorophenylsulphonamide

p-fluorobenzamide

Downstream raw materials:

sonepiprazole

C₂₆H₃₄N₄O₄S

(S)-(-)-3-Bromo-4-[4-[2-(6-bromoisochroman-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide

(RS)-4-[4-[(Isochroman-1-yl)methyl]piperazin-1-yl]benzenesulfonamide

Refernces

• 1、 -. "Novel protein inhibitor and preparation method and application thereof". Paragraph 0120; 0123. . Retrieved 2019/11/12.
• 2、 Ravindra, Barnala,Maity, Sanjay,Das, Braja Gopal,Ghorai, Prasanta. "Organocatalytic, Enantioselective Synthesis of 1- and 3-Substituted Isochromans via Intramolecular Oxa-Michael Reaction of Alkoxyboronate: Synthesis of (+)-Sonepiprazole". . p. 7008 - 7018. Retrieved 2015/07/28.