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

C16H12FNO4S — CID 15390789

IUPAC4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)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/h1-9,15H,(H2,18,20,21)
InChIKeyXCTYSEVSRPGVFI-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.15
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide (PubChem CID 15390789) has the molecular formula C16H12FNO4S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide
PubChem CID15390789
Molecular FormulaC16H12FNO4S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)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/h1-9,15H,(H2,18,20,21)
InChIKeyXCTYSEVSRPGVFI-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide (CID 15390789) is 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide?
The InChIKey is XCTYSEVSRPGVFI-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/h1-9,15H,(H2,18,20,21).
What are the key properties of 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2-oxo-3H-furan-4-yl]benzenesulfonamide is sourced from PubChem (CID 15390789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).