2-(benzenesulfonyl)-6-phenyloxane

C17H18O3S — CID 14120572

IUPAC2-(benzenesulfonyl)-6-phenyloxane
SMILESO=S(=O)(c1ccccc1)C1CCCC(c2ccccc2)O1
InChIInChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2
InChIKeyQQDVJOZDMCGFMB-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.73
Rot. Bonds3

About 2-(benzenesulfonyl)-6-phenyloxane

2-(benzenesulfonyl)-6-phenyloxane (PubChem CID 14120572) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6-phenyloxane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6-phenyloxane
PubChem CID14120572
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name2-(benzenesulfonyl)-6-phenyloxane
SMILESO=S(=O)(c1ccccc1)C1CCCC(c2ccccc2)O1
InChIInChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2
InChIKeyQQDVJOZDMCGFMB-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-6-phenyloxane?
The IUPAC name of 2-(benzenesulfonyl)-6-phenyloxane (CID 14120572) is 2-(benzenesulfonyl)-6-phenyloxane.
What is the SMILES notation for 2-(benzenesulfonyl)-6-phenyloxane?
The canonical SMILES for 2-(benzenesulfonyl)-6-phenyloxane is O=S(=O)(c1ccccc1)C1CCCC(c2ccccc2)O1.
What is the InChIKey of 2-(benzenesulfonyl)-6-phenyloxane?
The InChIKey is QQDVJOZDMCGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)17-13-7-12-16(20-17)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2.
What are the key properties of 2-(benzenesulfonyl)-6-phenyloxane?
2-(benzenesulfonyl)-6-phenyloxane has a molecular weight of 302.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-6-phenyloxane is sourced from PubChem (CID 14120572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).