3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan

C13H12O3S — CID 52943251

IUPAC3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan
SMILESCS(=O)(=O)c1ccc(/C=C/c2ccoc2)cc1
InChIInChI=1S/C13H12O3S/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+
InChIKeyQQRVCKLIZGPTIJ-NSCUHMNNSA-N
MW248.30 g/mol
LogP2.85
Rot. Bonds3

About 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan

3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan (PubChem CID 52943251) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan
PubChem CID52943251
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan
SMILESCS(=O)(=O)c1ccc(/C=C/c2ccoc2)cc1
InChIInChI=1S/C13H12O3S/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+
InChIKeyQQRVCKLIZGPTIJ-NSCUHMNNSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan?
The IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan (CID 52943251) is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan.
What is the SMILES notation for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan?
The canonical SMILES for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan is CS(=O)(=O)c1ccc(/C=C/c2ccoc2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan?
The InChIKey is QQRVCKLIZGPTIJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H12O3S/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan?
3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan has a molecular weight of 248.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]furan is sourced from PubChem (CID 52943251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).