2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H17ClF3N3O4S — CID 21235070

About 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 21235070) has the molecular formula C23H17ClF3N3O4S and a molecular weight of 523.92 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 21235070
• Molecular Formula: C23H17ClF3N3O4S
• Molecular Weight: 523.92 g/mol
• Exact Mass: 523.06
• IUPAC Name: 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H17ClF3N3O4S/c24-15-8-10-17(11-9-15)35(33,34)30-19-7-2-1-6-18(19)29-22(32)20(30)13-21(31)28-16-5-3-4-14(12-16)23(25,26)27/h1-12,20H,13H2,(H,28,31)(H,29,32)
• InChIKey: IQZXKNSXIZXUGI-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.92
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 21235070) is 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is IQZXKNSXIZXUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O4S/c24-15-8-10-17(11-9-15)35(33,34)30-19-7-2-1-6-18(19)29-22(32)20(30)13-21(31)28-16-5-3-4-14(12-16)23(25,26)27/h1-12,20H,13H2,(H,28,31)(H,29,32).

What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 523.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21235070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).