3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran

C21H15FO3S — CID 101478989

IUPAC3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran
SMILESCOc1ccc(S(=O)c2oc3ccccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FO3S/c1-24-16-10-12-17(13-11-16)26(23)21-20(14-6-8-15(22)9-7-14)18-4-2-3-5-19(18)25-21/h2-13H,1H3
InChIKeyKBZWQQFQVWEWDW-UHFFFAOYSA-N
MW366.41 g/mol
LogP5.41
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran

3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran (PubChem CID 101478989) has the molecular formula C21H15FO3S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran
PubChem CID101478989
Molecular FormulaC21H15FO3S
Molecular Weight366.41 g/mol
Exact Mass366.07
IUPAC Name3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran
SMILESCOc1ccc(S(=O)c2oc3ccccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FO3S/c1-24-16-10-12-17(13-11-16)26(23)21-20(14-6-8-15(22)9-7-14)18-4-2-3-5-19(18)25-21/h2-13H,1H3
InChIKeyKBZWQQFQVWEWDW-UHFFFAOYSA-N
XLogP5.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-tert-butylbenzofuran-2-yl)sulfanyl-4-hydroxy-2-phenethyl-2-phenyl-3H-pyran-6-one
CID 54688104
Dibenzofuran-2-sulphonic acid
CID 522803
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-sulfonyl chloride
CID 2758030
3,5-Bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24747884
1-[4-[2-(2-Methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone
CID 24794046
4-[3-(3-Fluoro-4-methoxy-phenyl)-benzofuran-2-yl]-benzenesulfonamide
CID 10408494
3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316046
4-[3-(4-Fluoro-phenyl)-benzofuran-2-yl]-benzenesulfonamide
CID 44316113
5-Fluoro-1-benzofuran-2-sulfonyl chloride
CID 83896263

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran (CID 101478989) is 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran is COc1ccc(S(=O)c2oc3ccccc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran?
The InChIKey is KBZWQQFQVWEWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3S/c1-24-16-10-12-17(13-11-16)26(23)21-20(14-6-8-15(22)9-7-14)18-4-2-3-5-19(18)25-21/h2-13H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran?
3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran has a molecular weight of 366.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfinyl-1-benzofuran is sourced from PubChem (CID 101478989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).