3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran

C17H16O3S — CID 14296298

IUPAC3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=CCOC2c2ccccc2)cc1
InChIInChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21(18,19)16-11-12-20-17(16)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3
InChIKeyCSFULDZEOUXQQW-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.42
Rot. Bonds3

About 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran

3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran (PubChem CID 14296298) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
PubChem CID14296298
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=CCOC2c2ccccc2)cc1
InChIInChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21(18,19)16-11-12-20-17(16)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3
InChIKeyCSFULDZEOUXQQW-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran (CID 14296298) is 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran is Cc1ccc(S(=O)(=O)C2=CCOC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The InChIKey is CSFULDZEOUXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21(18,19)16-11-12-20-17(16)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran has a molecular weight of 300.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran is sourced from PubChem (CID 14296298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).