N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide

C23H19Cl2N3O4S — CID 172503377

About N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide

N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 172503377) has the molecular formula C23H19Cl2N3O4S and a molecular weight of 504.40 g/mol. Its IUPAC name is N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
• PubChem CID: 172503377
• Molecular Formula: C23H19Cl2N3O4S
• Molecular Weight: 504.40 g/mol
• Exact Mass: 503.05
• IUPAC Name: N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
• SMILES: CC(C)c1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2)c(Cl)c1
• InChI: InChI=1S/C23H19Cl2N3O4S/c1-12(2)17-10-19-20(27-23(30)22(29)26-19)11-21(17)33(31,32)28-15-6-7-16(18(25)9-15)13-4-3-5-14(24)8-13/h3-12,28H,1-2H3,(H,26,29)(H,27,30)
• InChIKey: WIHNLEPATQOHPM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 111.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.40
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?

The IUPAC name of N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide (CID 172503377) is N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide.

What is the SMILES notation for N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?

The canonical SMILES for N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide is CC(C)c1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2)c(Cl)c1.

What is the InChIKey of N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?

The InChIKey is WIHNLEPATQOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4S/c1-12(2)17-10-19-20(27-23(30)22(29)26-19)11-21(17)33(31,32)28-15-6-7-16(18(25)9-15)13-4-3-5-14(24)8-13/h3-12,28H,1-2H3,(H,26,29)(H,27,30).

What are the key properties of N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide?

N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 504.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 172503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).