4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C20H16F5N3O5S — CID 155539548

About 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 155539548) has the molecular formula C20H16F5N3O5S and a molecular weight of 505.42 g/mol. Its IUPAC name is 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
• PubChem CID: 155539548
• Molecular Formula: C20H16F5N3O5S
• Molecular Weight: 505.42 g/mol
• Exact Mass: 505.07
• IUPAC Name: 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
• SMILES: CC1(c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
• InChI: InChI=1S/C20H16F5N3O5S/c1-19(11-2-5-13(6-3-11)34(32,33)26-10-20(23,24)25)17(30)28(18(31)27-19)9-16(29)14-7-4-12(21)8-15(14)22/h2-8,26H,9-10H2,1H3,(H,27,31)
• InChIKey: PKVSNWXPHSSZNC-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.42
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?

The IUPAC name of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 155539548) is 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

What is the SMILES notation for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?

The canonical SMILES for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC1(c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.

What is the InChIKey of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?

The InChIKey is PKVSNWXPHSSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O5S/c1-19(11-2-5-13(6-3-11)34(32,33)26-10-20(23,24)25)17(30)28(18(31)27-19)9-16(29)14-7-4-12(21)8-15(14)22/h2-8,26H,9-10H2,1H3,(H,27,31).

What are the key properties of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?

4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 505.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 155539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).