2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide

C16H10F3NO4S — CID 22745720

IUPAC2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1F
InChIInChI=1S/C16H10F3NO4S/c17-10-3-1-2-8(4-10)14-11(7-24-16(14)21)9-5-12(18)15(13(19)6-9)25(20,22)23/h1-6H,7H2,(H2,20,22,23)
InChIKeyJVNLYXCSYVTROE-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.22
Rot. Bonds3

About 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide

2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide (PubChem CID 22745720) has the molecular formula C16H10F3NO4S and a molecular weight of 369.32 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
PubChem CID22745720
Molecular FormulaC16H10F3NO4S
Molecular Weight369.32 g/mol
Exact Mass369.03
IUPAC Name2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1F
InChIInChI=1S/C16H10F3NO4S/c17-10-3-1-2-8(4-10)14-11(7-24-16(14)21)9-5-12(18)15(13(19)6-9)25(20,22)23/h1-6H,7H2,(H2,20,22,23)
InChIKeyJVNLYXCSYVTROE-UHFFFAOYSA-N
XLogP2.22
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide (CID 22745720) is 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide is NS(=O)(=O)c1c(F)cc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is JVNLYXCSYVTROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO4S/c17-10-3-1-2-8(4-10)14-11(7-24-16(14)21)9-5-12(18)15(13(19)6-9)25(20,22)23/h1-6H,7H2,(H2,20,22,23).
What are the key properties of 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide?
2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide has a molecular weight of 369.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 22745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).