3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide

C14H9FO3S — CID 2187358

IUPAC3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H9FO3S/c15-10-5-7-11(8-6-10)18-13-9-19(16,17)14-4-2-1-3-12(13)14/h1-9H
InChIKeyXDGKAGGFQSNNKC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.99
Rot. Bonds2

About 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide

3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide (PubChem CID 2187358) has the molecular formula C14H9FO3S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide
PubChem CID2187358
Molecular FormulaC14H9FO3S
Molecular Weight276.29 g/mol
Exact Mass276.03
IUPAC Name3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H9FO3S/c15-10-5-7-11(8-6-10)18-13-9-19(16,17)14-4-2-1-3-12(13)14/h1-9H
InChIKeyXDGKAGGFQSNNKC-UHFFFAOYSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide (CID 2187358) is 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(Oc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide?
The InChIKey is XDGKAGGFQSNNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3S/c15-10-5-7-11(8-6-10)18-13-9-19(16,17)14-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide?
3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide has a molecular weight of 276.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 2187358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).