Sulofenur metabolite III

Base Information

• Chemical Name: Sulofenur metabolite III
• CAS No.: 132630-08-1
• Molecular Formula: C₁₆H₁₃ClN₂O₄S
• Molecular Weight: 364.809
• UNII: NM00NRA2ML
• Nikkaji Number: J391.080F
• Mol file: 132630-08-1.mol

Synonyms:Sulofenur metabolite III;NM00NRA2ML;UNII-NM00NRA2ML;132630-08-1;N-(((4-Chlorophenyl)amino)carbonyl)-2,3-dihydro-1-oxo-1H-indene-5-sulfonamide;1H-Indene-5-sulfonamide, N-(((4-chlorophenyl)amino)carbonyl)-2,3-dihydro-1-oxo-;SCHEMBL8646490

Chemical Property of Sulofenur metabolite III

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 364.0284558
• Heavy Atom Count: 24
• Complexity: 596

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl

Technology Process of Sulofenur metabolite III

There total 2 articles about Sulofenur metabolite III 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: 56.0%

p-chlorphenylisocyanate (104-12-1) + 1-keto-5-indansulfonamide (132630-12-7) → N-(1-keto-5-indansulfonyl)-N'-(4-chlorophenyl)urea (132630-08-1)

Guidance literature:

With sodium hydroxide; In acetone; for 2h; Ambient temperature;

Reference yield:

→ N-(1-keto-5-indansulfonyl)-N'-(4-chlorophenyl)urea (132630-08-1)

Guidance literature:

Reference yield:

N-(1-keto-5-indansulfonyl)-N'-(4-chlorophenyl)urea (132630-08-1) → N-(1-hydroxy-5-indansulfonyl)-N'-(4-chlorophenyl)urea, ammonium salt (132630-10-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1.5h; Ambient temperature;

upstream raw materials:

p-chlorphenylisocyanate

1-keto-5-indansulfonamide

Downstream raw materials:

N-(1-hydroxy-5-indansulfonyl)-N'-(4-chlorophenyl)urea, ammonium salt