2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane

C15H18O5S — CID 11255349

IUPAC2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane
SMILESCc1ccc(S(=O)(=O)C2=C(C3OCCCO3)OCC2)cc1
InChIInChI=1S/C15H18O5S/c1-11-3-5-12(6-4-11)21(16,17)13-7-10-18-14(13)15-19-8-2-9-20-15/h3-6,15H,2,7-10H2,1H3
InChIKeyKVFGUUITPBFUNS-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.16
Rot. Bonds3

About 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane

2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane (PubChem CID 11255349) has the molecular formula C15H18O5S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane
PubChem CID11255349
Molecular FormulaC15H18O5S
Molecular Weight310.37 g/mol
Exact Mass310.09
IUPAC Name2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane
SMILESCc1ccc(S(=O)(=O)C2=C(C3OCCCO3)OCC2)cc1
InChIInChI=1S/C15H18O5S/c1-11-3-5-12(6-4-11)21(16,17)13-7-10-18-14(13)15-19-8-2-9-20-15/h3-6,15H,2,7-10H2,1H3
InChIKeyKVFGUUITPBFUNS-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
(2S)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
CID 386663
5-methylsulfanyl-2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxane
CID 20693009
5-methylsulfanyl-2-[(1E,3E)-4-[4-(trifluoromethylsulfonyl)phenyl]buta-1,3-dienyl]-1,3-dioxane
CID 20693034
5-Methylsulfanyl-2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxane
CID 73697094
5-Methylsulfanyl-2-[4-[4-(trifluoromethylsulfonyl)phenyl]buta-1,3-dienyl]-1,3-dioxane
CID 73697117
(3aS,7aS)-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-thiopyrano[3,4-d][1,3]dioxole
CID 10969450
4-(4-Methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran
CID 11289396
2-[4-(4-Methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane
CID 101085186
(1r,2r,5r)-3-Methoxy-2,4-dimethyl-2-phenylsulfonyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 129801696
(1r,2r,5r)-3-Methoxy-2-methyl-2-phenylsulfonyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 129801749
(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane
CID 134932828

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane (CID 11255349) is 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane is Cc1ccc(S(=O)(=O)C2=C(C3OCCCO3)OCC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane?
The InChIKey is KVFGUUITPBFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5S/c1-11-3-5-12(6-4-11)21(16,17)13-7-10-18-14(13)15-19-8-2-9-20-15/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane?
2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane has a molecular weight of 310.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane is sourced from PubChem (CID 11255349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).