2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione

C18H9FO4S — CID 56847540

IUPAC2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2oc(S(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C18H9FO4S/c19-10-5-7-11(8-6-10)24(22)15-9-14-16(20)12-3-1-2-4-13(12)17(21)18(14)23-15/h1-9H
InChIKeyXJJYSOQIKDBJKZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.36
Rot. Bonds2

About 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione

2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione (PubChem CID 56847540) has the molecular formula C18H9FO4S and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione
PubChem CID56847540
Molecular FormulaC18H9FO4S
Molecular Weight340.33 g/mol
Exact Mass340.02
IUPAC Name2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2oc(S(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C18H9FO4S/c19-10-5-7-11(8-6-10)24(22)15-9-14-16(20)12-3-1-2-4-13(12)17(21)18(14)23-15/h1-9H
InChIKeyXJJYSOQIKDBJKZ-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione 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 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione (CID 56847540) is 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione is O=C1c2ccccc2C(=O)c2oc(S(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione?
The InChIKey is XJJYSOQIKDBJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9FO4S/c19-10-5-7-11(8-6-10)24(22)15-9-14-16(20)12-3-1-2-4-13(12)17(21)18(14)23-15/h1-9H.
What are the key properties of 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione?
2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione has a molecular weight of 340.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 56847540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).