dibenzofuran-2-yl 4-fluorobenzenesulfonate

C18H11FO4S — CID 2138754

IUPACdibenzofuran-2-yl 4-fluorobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1
InChIInChI=1S/C18H11FO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H
InChIKeyFRZJSTCALCJFPK-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.49
Rot. Bonds3

About dibenzofuran-2-yl 4-fluorobenzenesulfonate

dibenzofuran-2-yl 4-fluorobenzenesulfonate (PubChem CID 2138754) has the molecular formula C18H11FO4S and a molecular weight of 342.35 g/mol. Its IUPAC name is dibenzofuran-2-yl 4-fluorobenzenesulfonate.

Molecular Properties

Compound Namedibenzofuran-2-yl 4-fluorobenzenesulfonate
PubChem CID2138754
Molecular FormulaC18H11FO4S
Molecular Weight342.35 g/mol
Exact Mass342.04
IUPAC Namedibenzofuran-2-yl 4-fluorobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1
InChIInChI=1S/C18H11FO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H
InChIKeyFRZJSTCALCJFPK-UHFFFAOYSA-N
XLogP4.49
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 4-fluorobenzenesulfonate?
The IUPAC name of dibenzofuran-2-yl 4-fluorobenzenesulfonate (CID 2138754) is dibenzofuran-2-yl 4-fluorobenzenesulfonate.
What is the SMILES notation for dibenzofuran-2-yl 4-fluorobenzenesulfonate?
The canonical SMILES for dibenzofuran-2-yl 4-fluorobenzenesulfonate is O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1.
What is the InChIKey of dibenzofuran-2-yl 4-fluorobenzenesulfonate?
The InChIKey is FRZJSTCALCJFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H.
What are the key properties of dibenzofuran-2-yl 4-fluorobenzenesulfonate?
dibenzofuran-2-yl 4-fluorobenzenesulfonate has a molecular weight of 342.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 4-fluorobenzenesulfonate is sourced from PubChem (CID 2138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).