2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane

C16H15FO4S — CID 151001741

IUPAC2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane
SMILESCc1ccc(S(=O)(=O)c2cccc(F)c2C2OCCO2)cc1
InChIInChI=1S/C16H15FO4S/c1-11-5-7-12(8-6-11)22(18,19)14-4-2-3-13(17)15(14)16-20-9-10-21-16/h2-8,16H,9-10H2,1H3
InChIKeyLUGAEFSKYGIQEO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.01
Rot. Bonds3

About 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane

2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane (PubChem CID 151001741) has the molecular formula C16H15FO4S and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane
PubChem CID151001741
Molecular FormulaC16H15FO4S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Name2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane
SMILESCc1ccc(S(=O)(=O)c2cccc(F)c2C2OCCO2)cc1
InChIInChI=1S/C16H15FO4S/c1-11-5-7-12(8-6-11)22(18,19)14-4-2-3-13(17)15(14)16-20-9-10-21-16/h2-8,16H,9-10H2,1H3
InChIKeyLUGAEFSKYGIQEO-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane (CID 151001741) is 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane is Cc1ccc(S(=O)(=O)c2cccc(F)c2C2OCCO2)cc1.
What is the InChIKey of 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane?
The InChIKey is LUGAEFSKYGIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4S/c1-11-5-7-12(8-6-11)22(18,19)14-4-2-3-13(17)15(14)16-20-9-10-21-16/h2-8,16H,9-10H2,1H3.
What are the key properties of 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane?
2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane has a molecular weight of 322.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(4-methylphenyl)sulfonylphenyl]-1,3-dioxolane is sourced from PubChem (CID 151001741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).