1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran

C24H15FO2S — CID 123913010

IUPAC1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran
SMILESO=S(c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc3ccccc3c12
InChIInChI=1S/C24H15FO2S/c25-18-13-10-17(11-14-18)23-24(28(26)19-7-2-1-3-8-19)22-20-9-5-4-6-16(20)12-15-21(22)27-23/h1-15H
InChIKeyRTQYCEPAORMVSV-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.56
Rot. Bonds3

About 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran

1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran (PubChem CID 123913010) has the molecular formula C24H15FO2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran
PubChem CID123913010
Molecular FormulaC24H15FO2S
Molecular Weight386.45 g/mol
Exact Mass386.08
IUPAC Name1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran
SMILESO=S(c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc3ccccc3c12
InChIInChI=1S/C24H15FO2S/c25-18-13-10-17(11-14-18)23-24(28(26)19-7-2-1-3-8-19)22-20-9-5-4-6-16(20)12-15-21(22)27-23/h1-15H
InChIKeyRTQYCEPAORMVSV-UHFFFAOYSA-N
XLogP6.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran?
The IUPAC name of 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran (CID 123913010) is 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran.
What is the SMILES notation for 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran?
The canonical SMILES for 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran is O=S(c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc3ccccc3c12.
What is the InChIKey of 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran?
The InChIKey is RTQYCEPAORMVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FO2S/c25-18-13-10-17(11-14-18)23-24(28(26)19-7-2-1-3-8-19)22-20-9-5-4-6-16(20)12-15-21(22)27-23/h1-15H.
What are the key properties of 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran?
1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran has a molecular weight of 386.45 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-2-(4-fluorophenyl)benzo[e][1]benzofuran is sourced from PubChem (CID 123913010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).