1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene

C15H15FO2S — CID 21496263

IUPAC1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene
SMILESCC(c1ccc(-c2ccccc2F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H15FO2S/c1-11(19(2,17)18)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h3-11H,1-2H3
InChIKeyLLRCJCWJGPMPLI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.60
Rot. Bonds3

About 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene

1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene (PubChem CID 21496263) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene
PubChem CID21496263
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene
SMILESCC(c1ccc(-c2ccccc2F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H15FO2S/c1-11(19(2,17)18)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h3-11H,1-2H3
InChIKeyLLRCJCWJGPMPLI-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene (CID 21496263) is 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene is CC(c1ccc(-c2ccccc2F)cc1)S(C)(=O)=O.
What is the InChIKey of 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene?
The InChIKey is LLRCJCWJGPMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-11(19(2,17)18)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h3-11H,1-2H3.
What are the key properties of 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene?
1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene has a molecular weight of 278.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene is sourced from PubChem (CID 21496263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).