2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran

C11H11FO3S — CID 117172256

IUPAC2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2c(F)cccc2o1
InChIInChI=1S/C11H11FO3S/c1-2-16(13,14)7-8-6-9-10(12)4-3-5-11(9)15-8/h3-6H,2,7H2,1H3
InChIKeyNAFUXQHTIGMPAR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.51
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran

2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran (PubChem CID 117172256) has the molecular formula C11H11FO3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran
PubChem CID117172256
Molecular FormulaC11H11FO3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2c(F)cccc2o1
InChIInChI=1S/C11H11FO3S/c1-2-16(13,14)7-8-6-9-10(12)4-3-5-11(9)15-8/h3-6H,2,7H2,1H3
InChIKeyNAFUXQHTIGMPAR-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran?
The IUPAC name of 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran (CID 117172256) is 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran?
The canonical SMILES for 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran is CCS(=O)(=O)Cc1cc2c(F)cccc2o1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran?
The InChIKey is NAFUXQHTIGMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3S/c1-2-16(13,14)7-8-6-9-10(12)4-3-5-11(9)15-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran?
2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran has a molecular weight of 242.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran is sourced from PubChem (CID 117172256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).