Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-

Base Information

• Chemical Name: Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-
• CAS No.: 89565-24-2
• Molecular Formula: C12H9ClN2O3S
• Molecular Weight: 296.72900
• European Community (EC) Number: 856-758-5
• DSSTox Substance ID: DTXSID10536527
• Wikidata: Q82411231

Synonyms:89565-24-2;4-(pyridine-4-amido)benzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-;4-(pyridine-4-carbonylamino)benzenesulfonyl chloride;C12H9ClN2O3S;DTXSID10536527;AKOS000152302;EN300-67646;4-(pyridine-4-amido)benzene-1-sulfonylchloride;G45341;4-[(Pyridine-4-carbonyl)amino]benzene-1-sulfonyl chloride

Chemical Property of Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-

Chemical Property:

• PSA: 88.00000
• LogP: 3.72620
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.0022410
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

NLT 98% ^*data from raw suppliers

Benzenesulfonylchloride,4-[(4-pyridinylcarbonyl)amino]- 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)Cl

Technology Process of Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-

There total 1 articles about Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]- 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: 95.0%

N-phenylisonicotinamide (3034-31-9) → 4-[(Pyridine-4-carbonyl)-amino]-benzenesulfonyl chloride (89565-24-2)

Guidance literature:

With chlorosulfonic acid; at 70 - 80 ℃;

Reference yield: 66.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + 4-[(Pyridine-4-carbonyl)-amino]-benzenesulfonyl chloride (89565-24-2) → C21H19N3O5S

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 10 - 20 ℃; for 4.5h;

DOI:10.1080/10426500601144821

Reference yield: 60.0%

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + 4-[(Pyridine-4-carbonyl)-amino]-benzenesulfonyl chloride (89565-24-2) → C18H21N3O5S (1015067-06-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 10 - 20 ℃; for 4.5h;

DOI:10.1080/10426500601144821

upstream raw materials:

N-phenylisonicotinamide

Downstream raw materials:

N⁴-(Isonicotinoyl)sulfanilohydrazide

N-(4-Dimethylsulfamoyl-phenyl)-isonicotinamide

N-(4-Benzylsulfamoyl-phenyl)-isonicotinamide

C₁₈H₂₁N₃O₅S

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