2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide

C20H19F4N3O5S — CID 71653042

About 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide

2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 71653042) has the molecular formula C20H19F4N3O5S and a molecular weight of 489.40 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide
• PubChem CID: 71653042
• Molecular Formula: C20H19F4N3O5S
• Molecular Weight: 489.40 g/mol
• Exact Mass: 489.10
• IUPAC Name: 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
• SMILES: C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNS(=O)(=O)C4=C(C(=C(C=C4)F)F)F)F
• InChI: InChI=1S/C20H19F4N3O5S/c21-14-2-4-17(19(24)18(14)23)33(29,30)25-10-13-11-27(20(28)32-13)12-1-3-16(15(22)9-12)26-5-7-31-8-6-26/h1-4,9,13,25H,5-8,10-11H2/t13-/m0/s1
• InChIKey: DTJQMMFBOSXXAF-ZDUSSCGKSA-N
• XLogP: 2.30
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: 797

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.40
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide?

The IUPAC name of 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 71653042) is 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide?

The canonical SMILES for 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide is C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNS(=O)(=O)C4=C(C(=C(C=C4)F)F)F)F.

What is the InChIKey of 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide?

The InChIKey is DTJQMMFBOSXXAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F4N3O5S/c21-14-2-4-17(19(24)18(14)23)33(29,30)25-10-13-11-27(20(28)32-13)12-1-3-16(15(22)9-12)26-5-7-31-8-6-26/h1-4,9,13,25H,5-8,10-11H2/t13-/m0/s1.

What are the key properties of 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide?

2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 489.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4-trifluoro-N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71653042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).