4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide

Base Information

• Chemical Name: 4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide
• CAS No.: 25270-44-4
• Molecular Formula: C₁₃H₁₁ClN₂O₃S
• Molecular Weight: 310.761
• DSSTox Substance ID: DTXSID80877116
• Nikkaji Number: J1.607.521C
• Wikidata: Q82858851
• Mol file: 25270-44-4.mol

Synonyms:25270-44-4;SCHEMBL5186566;DTXSID80877116;4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide;BENZENESULFONAMIDE, 4-CHLORO-N-[(PHENYLAMINO)CAR

Chemical Property of 4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.0178911
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide

There total 3 articles about 4-Chloro-N-(phenylcarbamoyl)benzenesulfonamide 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%

→ 4-chloro-N-(phenylcarbamoyl)benzenesulfonamide (25270-44-4)

Guidance literature:

With palladium diacetate; In acetonitrile; at 20 ℃; for 12h; under 20 Torr;

Reference yield: 25.0%

sodium isocyanate (917-61-3) + 4-chlorobenzenesulfonyl chloride (98-60-2) + aniline (62-53-3) → 4-chloro-N-(phenylcarbamoyl)benzenesulfonamide (25270-44-4)

Guidance literature:

With pyridine; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1016/j.ijbiomac.2018.04.131

Reference yield:

4-chlorobenzenesulfonyl chloride (98-60-2) → 4-chloro-N-(phenylcarbamoyl)benzenesulfonamide (25270-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / water; acetonitrile / 0.33 h / 20 °C / Schlenk technique

2: palladium diacetate / acetonitrile / 20 °C / 15 Torr / Schlenk technique; Sealed tube

With sodium azide; palladium diacetate; In water; acetonitrile;

DOI:10.1002/anie.201600887

upstream raw materials:

4-chlorobenzenesulfonyl chloride

sodium isocyanate

aniline