4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide

C28H22FN3O5S — CID 58664905

IUPAC4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CC(Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C28H22FN3O5S/c29-20-10-15-26(30-17-20)27(33)24-8-4-5-9-25(24)31-38(35,36)23-13-11-21(12-14-23)32-18-22(37-28(32)34)16-19-6-2-1-3-7-19/h1-15,17,22,31H,16,18H2
InChIKeyVIFJJQMVSLQHFJ-UHFFFAOYSA-N
MW531.57 g/mol
LogP4.82
Rot. Bonds8

About 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide

4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide (PubChem CID 58664905) has the molecular formula C28H22FN3O5S and a molecular weight of 531.57 g/mol. Its IUPAC name is 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
PubChem CID58664905
Molecular FormulaC28H22FN3O5S
Molecular Weight531.57 g/mol
Exact Mass531.13
IUPAC Name4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CC(Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C28H22FN3O5S/c29-20-10-15-26(30-17-20)27(33)24-8-4-5-9-25(24)31-38(35,36)23-13-11-21(12-14-23)32-18-22(37-28(32)34)16-19-6-2-1-3-7-19/h1-15,17,22,31H,16,18H2
InChIKeyVIFJJQMVSLQHFJ-UHFFFAOYSA-N
XLogP4.82
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide (CID 58664905) is 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CC(Cc3ccccc3)OC2=O)cc1.
What is the InChIKey of 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is VIFJJQMVSLQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O5S/c29-20-10-15-26(30-17-20)27(33)24-8-4-5-9-25(24)31-38(35,36)23-13-11-21(12-14-23)32-18-22(37-28(32)34)16-19-6-2-1-3-7-19/h1-15,17,22,31H,16,18H2.
What are the key properties of 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 531.57 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 58664905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).