Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro-

Base Information

• Chemical Name: Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro-
• CAS No.: 81514-36-5
• Molecular Formula: C22H27ClN4O8S2
• Molecular Weight: 575.0548
• DSSTox Substance ID: DTXSID00231170
• Wikidata: Q83112009
• Mol file: 81514-36-5.mol

Synonyms:81514-36-5;BRN 5686333;Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro-;1-[4-[2-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-cyclohexyl-urea;C22H27ClN4O8S2;DTXSID00231170;C22-H27-Cl-N4-O8-S2;LS-31384;1-[4-[2-[(5-CHLORO-2-METHOXY-4-NITRO-PHENYL)SULFONYLAMINO]ETHYL]PHENYL]SULFONYL-3-CYCLOHEXYL-UREA

Chemical Property of Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 196.74000
• Density: 1.51g/cm³
• LogP: 6.76940
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 574.0958839
• Heavy Atom Count: 37
• Complexity: 982

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

Technology Process of Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro-

There total 3 articles about Benzenesulfonamide, 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-4-nitro- 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%

Cyclohexyl isocyanate (3173-53-3) + 5-Chloro-2-methoxy-4-nitro-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzenesulfonamide (81514-25-2) → C22H27ClN4O8S2 (81514-36-5)

Guidance literature:

With sodium carbonate; In acetone; for 8h; Heating;

Reference yield:

5-Chlor-2-methoxy-4-nitro-benzolsulfonylchlorid (62833-51-6) → C22H27ClN4O8S2 (81514-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / triethylamine / diethyl ether; ethanol / 0.75 h / Heating

2: 94 percent / Na₂CO₃ / acetone / 8 h / Heating

With sodium carbonate; triethylamine; In diethyl ether; ethanol; acetone;

Reference yield:

chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide (6325-22-0,42286-14-6) → C22H27ClN4O8S2 (81514-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / triethylamine / diethyl ether; ethanol / 0.75 h / Heating

2: 94 percent / Na₂CO₃ / acetone / 8 h / Heating

With sodium carbonate; triethylamine; In diethyl ether; ethanol; acetone;

upstream raw materials:

Cyclohexyl isocyanate

5-Chloro-2-methoxy-4-nitro-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzenesulfonamide

5-Chlor-2-methoxy-4-nitro-benzolsulfonylchlorid

chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide

Downstream raw materials:

C₂₂H₂₉ClN₄O₆S₂