2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane

C13H18O5S — CID 66474370

IUPAC2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
SMILESCOc1ccccc1S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C13H18O5S/c1-16-11-5-2-3-6-12(11)19(14,15)10-7-13-17-8-4-9-18-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyURJRGORGTIEEKB-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.62
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane

2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane (PubChem CID 66474370) has the molecular formula C13H18O5S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
PubChem CID66474370
Molecular FormulaC13H18O5S
Molecular Weight286.35 g/mol
Exact Mass286.09
IUPAC Name2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
SMILESCOc1ccccc1S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C13H18O5S/c1-16-11-5-2-3-6-12(11)19(14,15)10-7-13-17-8-4-9-18-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyURJRGORGTIEEKB-UHFFFAOYSA-N
XLogP1.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
CID 66472307
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
CID 104756180
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
CID 64675874
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
CID 161258286
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane (CID 66474370) is 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane is COc1ccccc1S(=O)(=O)CCC1OCCCO1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane?
The InChIKey is URJRGORGTIEEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5S/c1-16-11-5-2-3-6-12(11)19(14,15)10-7-13-17-8-4-9-18-13/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane?
2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane has a molecular weight of 286.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane is sourced from PubChem (CID 66474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).