5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran

C20H13FO3S — CID 11617280

IUPAC5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran
SMILESO=S(=O)(c1ccccc1)c1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C20H13FO3S/c21-16-8-6-14(7-9-16)20-13-15-12-18(10-11-19(15)24-20)25(22,23)17-4-2-1-3-5-17/h1-13H
InChIKeyXXICRYWPKPVENS-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.07
Rot. Bonds3

About 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran

5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran (PubChem CID 11617280) has the molecular formula C20H13FO3S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran
PubChem CID11617280
Molecular FormulaC20H13FO3S
Molecular Weight352.39 g/mol
Exact Mass352.06
IUPAC Name5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran
SMILESO=S(=O)(c1ccccc1)c1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C20H13FO3S/c21-16-8-6-14(7-9-16)20-13-15-12-18(10-11-19(15)24-20)25(22,23)17-4-2-1-3-5-17/h1-13H
InChIKeyXXICRYWPKPVENS-UHFFFAOYSA-N
XLogP5.07
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran?
The IUPAC name of 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran (CID 11617280) is 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran.
What is the SMILES notation for 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran?
The canonical SMILES for 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran is O=S(=O)(c1ccccc1)c1ccc2oc(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran?
The InChIKey is XXICRYWPKPVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO3S/c21-16-8-6-14(7-9-16)20-13-15-12-18(10-11-19(15)24-20)25(22,23)17-4-2-1-3-5-17/h1-13H.
What are the key properties of 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran?
5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran has a molecular weight of 352.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-(4-fluorophenyl)-1-benzofuran is sourced from PubChem (CID 11617280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).