2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one

C19H13FO4S2 — CID 67735176

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3c2SCC3=O)cc1
InChIInChI=1S/C19H13FO4S2/c1-26(22,23)14-8-4-11(5-9-14)16-17(12-2-6-13(20)7-3-12)24-18-15(21)10-25-19(16)18/h2-9H,10H2,1H3
InChIKeyFZKREZMKOOUZQY-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one

2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one (PubChem CID 67735176) has the molecular formula C19H13FO4S2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one
PubChem CID67735176
Molecular FormulaC19H13FO4S2
Molecular Weight388.44 g/mol
Exact Mass388.02
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3c2SCC3=O)cc1
InChIInChI=1S/C19H13FO4S2/c1-26(22,23)14-8-4-11(5-9-14)16-17(12-2-6-13(20)7-3-12)24-18-15(21)10-25-19(16)18/h2-9H,10H2,1H3
InChIKeyFZKREZMKOOUZQY-UHFFFAOYSA-N
XLogP4.44
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one (CID 67735176) is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one is CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3c2SCC3=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one?
The InChIKey is FZKREZMKOOUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO4S2/c1-26(22,23)14-8-4-11(5-9-14)16-17(12-2-6-13(20)7-3-12)24-18-15(21)10-25-19(16)18/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one?
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one has a molecular weight of 388.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thieno[3,2-b]furan-6-one is sourced from PubChem (CID 67735176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).