4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

C16H10ClF2NO4S — CID 22745672

IUPAC4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C16H10ClF2NO4S/c17-9-3-1-8(2-4-9)15-11(7-24-16(15)21)10-5-13(19)14(6-12(10)18)25(20,22)23/h1-6H,7H2,(H2,20,22,23)
InChIKeyFEFJRGKBYSHUHT-UHFFFAOYSA-N
MW385.78 g/mol
LogP2.73
Rot. Bonds3

About 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22745672) has the molecular formula C16H10ClF2NO4S and a molecular weight of 385.78 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22745672
Molecular FormulaC16H10ClF2NO4S
Molecular Weight385.78 g/mol
Exact Mass385.00
IUPAC Name4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C16H10ClF2NO4S/c17-9-3-1-8(2-4-9)15-11(7-24-16(15)21)10-5-13(19)14(6-12(10)18)25(20,22)23/h1-6H,7H2,(H2,20,22,23)
InChIKeyFEFJRGKBYSHUHT-UHFFFAOYSA-N
XLogP2.73
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 52.73
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 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (CID 22745672) is 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FEFJRGKBYSHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO4S/c17-9-3-1-8(2-4-9)15-11(7-24-16(15)21)10-5-13(19)14(6-12(10)18)25(20,22)23/h1-6H,7H2,(H2,20,22,23).
What are the key properties of 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 385.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22745672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).