N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C21H21F4N3O5S — CID 78138838

About N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 78138838) has the molecular formula C21H21F4N3O5S and a molecular weight of 503.47 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 78138838
• Molecular Formula: C21H21F4N3O5S
• Molecular Weight: 503.47 g/mol
• Exact Mass: 503.11
• IUPAC Name: N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
• SMILES: O=C1OC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1
• InChI: InChI=1S/C21H21F4N3O5S/c22-18-11-15(3-6-19(18)27-7-9-32-10-8-27)28-13-16(33-20(28)29)12-26-34(30,31)17-4-1-14(2-5-17)21(23,24)25/h1-6,11,16,26H,7-10,12-13H2
• InChIKey: AEMPCUZPILTLMI-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 78138838) is N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is O=C1OC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1.

What is the InChIKey of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?

The InChIKey is AEMPCUZPILTLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N3O5S/c22-18-11-15(3-6-19(18)27-7-9-32-10-8-27)28-13-16(33-20(28)29)12-26-34(30,31)17-4-1-14(2-5-17)21(23,24)25/h1-6,11,16,26H,7-10,12-13H2.

What are the key properties of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 503.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 78138838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).