4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

C24H24FN3O7S3 — CID 71652888

About 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 71652888) has the molecular formula C24H24FN3O7S3 and a molecular weight of 581.67 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
• PubChem CID: 71652888
• Molecular Formula: C24H24FN3O7S3
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.08
• IUPAC Name: 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
• SMILES: O=C1O[C@@H](CNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CN1c1ccc(N2CCOCC2)c(F)c1
• InChI: InChI=1S/C24H24FN3O7S3/c25-21-12-17(6-7-22(21)27-8-10-34-11-9-27)28-15-18(35-24(28)29)14-26-38(32,33)23-13-20(16-36-23)37(30,31)19-4-2-1-3-5-19/h1-7,12-13,16,18,26H,8-11,14-15H2/t18-/m0/s1
• InChIKey: HQWRVBASUGDSDZ-SFHVURJKSA-N
• XLogP: 2.86
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (CID 71652888) is 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.

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

The canonical SMILES for 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is O=C1O[C@@H](CNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CN1c1ccc(N2CCOCC2)c(F)c1.

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

The InChIKey is HQWRVBASUGDSDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN3O7S3/c25-21-12-17(6-7-22(21)27-8-10-34-11-9-27)28-15-18(35-24(28)29)14-26-38(32,33)23-13-20(16-36-23)37(30,31)19-4-2-1-3-5-19/h1-7,12-13,16,18,26H,8-11,14-15H2/t18-/m0/s1.

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

4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 581.67 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71652888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).