4-[(Anilinocarbonyl)amino]benzenesulfonamide

Base Information

• Chemical Name: 4-[(Anilinocarbonyl)amino]benzenesulfonamide
• CAS No.: 23761-01-5
• Molecular Formula: C13H13 N3 O3 S
• Molecular Weight: 291.331
• NSC Number: 204621
• DSSTox Substance ID: DTXSID30308506
• Nikkaji Number: J1.436.662H
• Wikidata: Q82056423
• Pharos Ligand ID: M4BY4JR2NB3S
• ChEMBL ID: CHEMBL25600
• Mol file: 23761-01-5.mol

Synonyms:4-[(anilinocarbonyl)amino]benzenesulfonamide;23761-01-5;1-phenyl-3-(4-sulfamoylphenyl)urea;NSC204621;Oprea1_809529;MLS000850341;CHEMBL25600;SCHEMBL671546;aromatic sulfonamide compound 19;BDBM16654;DTXSID30308506;XCGMCYYUHKUQTO-UHFFFAOYSA-N;HMS1663J12;HMS2808N11;4-(3-Phenylureido)Benzenesulfonamide;STL023699;AKOS003409421;NSC-204621;SMR000456359;N-(4-aminosulfonylphenyl)-N'-phenyl-urea;4-[(phenylcarbamoyl)amino]benzenesulfonamide

Chemical Property of 4-[(Anilinocarbonyl)amino]benzenesulfonamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.465g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 291.06776246
• Heavy Atom Count: 20
• Complexity: 419

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Technology Process of 4-[(Anilinocarbonyl)amino]benzenesulfonamide

There total 4 articles about 4-[(Anilinocarbonyl)amino]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: 81.0%

phenyl isocyanate (103-71-9) + sulfanilamide (63-74-1) → 4-[(anilinocarbonyl)amino]benzenesulfonamide (23761-01-5)

Guidance literature:

In 1,4-dioxane; N,N-dimethyl-formamide; for 1h;

DOI:10.1016/j.jfluchem.2012.06.032

Reference yield:

sulfanilamide (63-74-1) → 4-[(anilinocarbonyl)amino]benzenesulfonamide (23761-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrobenzene / 90 °C

2: iBuCOMe

With 4-methyl-2-pentanone; In nitrobenzene;

DOI:10.1021/jo01015a516

Reference yield:

4-(chlorosulfonyl)phenyl isocyanate (1773-42-8) + aniline (62-53-3) → 4-[(anilinocarbonyl)amino]benzenesulfonamide (23761-01-5)

Guidance literature:

With 4-methyl-2-pentanone;

DOI:10.1021/jo01015a516

upstream raw materials:

phenyl isocyanate

sulfanilamide

4-(chlorosulfonyl)phenyl isocyanate

aniline

Downstream raw materials:

C₁₆H₁₃N₃O₅S

C₁₈H₁₂F₃N₅O₄S

C₂₃H₁₅F₂N₃O₅S

C₂₃H₁₇N₃O₅S

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