N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide

C25H24ClFN6O4S — CID 59249132

About N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide

N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide (PubChem CID 59249132) has the molecular formula C25H24ClFN6O4S and a molecular weight of 559.02 g/mol. Its IUPAC name is N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide.

Molecular Properties

• Compound Name: N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide
• PubChem CID: 59249132
• Molecular Formula: C25H24ClFN6O4S
• Molecular Weight: 559.02 g/mol
• Exact Mass: 558.13
• IUPAC Name: N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide
• SMILES: COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNCCF)c2)c1
• InChI: InChI=1S/C25H24ClFN6O4S/c1-37-17-9-10-19(26)22(14-17)32-24-25(31-21-8-3-2-7-20(21)30-24)33-38(35,36)18-6-4-5-16(13-18)29-23(34)15-28-12-11-27/h2-10,13-14,28H,11-12,15H2,1H3,(H,29,34)(H,30,32)(H,31,33)
• InChIKey: JWHXRVWXHZSVFW-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 134.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.02
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide?

The IUPAC name of N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide (CID 59249132) is N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide.

What is the SMILES notation for N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide?

The canonical SMILES for N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide is COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNCCF)c2)c1.

What is the InChIKey of N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide?

The InChIKey is JWHXRVWXHZSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O4S/c1-37-17-9-10-19(26)22(14-17)32-24-25(31-21-8-3-2-7-20(21)30-24)33-38(35,36)18-6-4-5-16(13-18)29-23(34)15-28-12-11-27/h2-10,13-14,28H,11-12,15H2,1H3,(H,29,34)(H,30,32)(H,31,33).

What are the key properties of N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide?

N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide has a molecular weight of 559.02 g/mol, XLogP of 4.33, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide is sourced from PubChem (CID 59249132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).