5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran

C17H15FO3S — CID 123702574

IUPAC5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
SMILESCCc1ccc2oc(C)c(S(=O)(=O)c3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FO3S/c1-3-12-7-8-16-15(9-12)17(11(2)21-16)22(19,20)14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3
InChIKeyNLZCGZTUMMEQRV-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.28
Rot. Bonds3

About 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran

5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran (PubChem CID 123702574) has the molecular formula C17H15FO3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
PubChem CID123702574
Molecular FormulaC17H15FO3S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
SMILESCCc1ccc2oc(C)c(S(=O)(=O)c3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FO3S/c1-3-12-7-8-16-15(9-12)17(11(2)21-16)22(19,20)14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3
InChIKeyNLZCGZTUMMEQRV-UHFFFAOYSA-N
XLogP4.28
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
[4-(1-Benzofuran-5-yl)phenyl] propane-1-sulfonate
CID 155520260
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
[4-(1-Benzofuran-5-yl)phenyl] 4-methylbenzenesulfonate
CID 155540983
[4-(1-Benzofuran-5-yl)phenyl] benzenesulfonate
CID 155556148
[4-(1-Benzofuran-5-yl)phenyl] ethanesulfonate
CID 155558376
[4-(1-Benzofuran-5-yl)phenyl] methanesulfonate
CID 155568895
1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone
CID 15146467
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
3,5-Bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24747884
5-(4-Methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24746764

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The IUPAC name of 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran (CID 123702574) is 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran.
What is the SMILES notation for 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The canonical SMILES for 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran is CCc1ccc2oc(C)c(S(=O)(=O)c3cccc(F)c3)c2c1.
What is the InChIKey of 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The InChIKey is NLZCGZTUMMEQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3S/c1-3-12-7-8-16-15(9-12)17(11(2)21-16)22(19,20)14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran has a molecular weight of 318.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluorophenyl)sulfonyl-2-methyl-1-benzofuran is sourced from PubChem (CID 123702574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).