2-fluoro-N-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

Base Information

• Chemical Name: 2-fluoro-N-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
• CAS No.: 6801-17-8
• Molecular Formula: C23H23FN4O3S
• Molecular Weight: 367.4608
• DSSTox Substance ID: DTXSID20410581
• Mol file: 6801-17-8.mol

Synonyms:Oprea1_116219;DTXSID20410581;AKOS002133215;2-fluoro-N-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide;SR-01000580767;SR-01000580767-1

Chemical Property of 2-fluoro-N-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.32000
• Density: g/cm³
• LogP: 2.67060
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 454.14748994
• Heavy Atom Count: 32
• Complexity: 730

Purity/Quality:

MACUSINE C 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)F
• Description: The 16-epimer of Macusine A also occurs in the bark extract from Strychnos toxifera, isolated as the chloride, m.p. 260-10 C (dec.); [α]24D - 60.8° (c 2.13, H20). The ultraviolet spectrum of this salts has been determined, showing absorption maxima at 222, 272, 278 and 289 mil. The iodide is also crystalline with m.p. 285°C (dec.).