4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane

C13H17FO4S — CID 167762727

IUPAC4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCS(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C13H17FO4S/c1-13(2)17-9-11(18-13)7-8-19(15,16)12-5-3-10(14)4-6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyZOSYIBCFJLDWHF-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.14
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane

4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 167762727) has the molecular formula C13H17FO4S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID167762727
Molecular FormulaC13H17FO4S
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCS(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C13H17FO4S/c1-13(2)17-9-11(18-13)7-8-19(15,16)12-5-3-10(14)4-6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyZOSYIBCFJLDWHF-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane (CID 167762727) is 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(CCS(=O)(=O)c2ccc(F)cc2)O1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ZOSYIBCFJLDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4S/c1-13(2)17-9-11(18-13)7-8-19(15,16)12-5-3-10(14)4-6-12/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane?
4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 288.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 167762727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).