2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane

C17H17ClO3S — CID 118443618

IUPAC2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane
SMILESCc1cccc(S(=O)(=O)C2COC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H17ClO3S/c1-12-3-2-4-15(9-12)22(19,20)16-10-17(21-11-16)13-5-7-14(18)8-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyJWOUPXWIXJGFFY-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane

2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane (PubChem CID 118443618) has the molecular formula C17H17ClO3S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane
PubChem CID118443618
Molecular FormulaC17H17ClO3S
Molecular Weight336.84 g/mol
Exact Mass336.06
IUPAC Name2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane
SMILESCc1cccc(S(=O)(=O)C2COC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H17ClO3S/c1-12-3-2-4-15(9-12)22(19,20)16-10-17(21-11-16)13-5-7-14(18)8-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyJWOUPXWIXJGFFY-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane?
The IUPAC name of 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane (CID 118443618) is 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane?
The canonical SMILES for 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane is Cc1cccc(S(=O)(=O)C2COC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane?
The InChIKey is JWOUPXWIXJGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3S/c1-12-3-2-4-15(9-12)22(19,20)16-10-17(21-11-16)13-5-7-14(18)8-6-13/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane?
2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane has a molecular weight of 336.84 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(3-methylphenyl)sulfonyloxolane is sourced from PubChem (CID 118443618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).