4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide

C16H12FNO4S — CID 15524017

IUPAC4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIInChI=1S/C16H12FNO4S/c17-12-5-1-11(2-6-12)15-14(9-22-16(15)19)10-3-7-13(8-4-10)23(18,20)21/h1-8H,9H2,(H2,18,20,21)
InChIKeyFUUWECMEVRVWJE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.94
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide

4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide (PubChem CID 15524017) has the molecular formula C16H12FNO4S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
PubChem CID15524017
Molecular FormulaC16H12FNO4S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIInChI=1S/C16H12FNO4S/c17-12-5-1-11(2-6-12)15-14(9-22-16(15)19)10-3-7-13(8-4-10)23(18,20)21/h1-8H,9H2,(H2,18,20,21)
InChIKeyFUUWECMEVRVWJE-UHFFFAOYSA-N
XLogP1.94
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]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-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide (CID 15524017) is 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is FUUWECMEVRVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4S/c17-12-5-1-11(2-6-12)15-14(9-22-16(15)19)10-3-7-13(8-4-10)23(18,20)21/h1-8H,9H2,(H2,18,20,21).
What are the key properties of 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 15524017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).