2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan

C19H22O3S — CID 14764856

IUPAC2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan
SMILESCCC(=C=CS(=O)(=O)c1ccc(C)cc1)CCCc1ccco1
InChIInChI=1S/C19H22O3S/c1-3-17(6-4-7-18-8-5-14-22-18)13-15-23(20,21)19-11-9-16(2)10-12-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3
InChIKeyMZFJYZWCWPVYTE-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.83
Rot. Bonds7

About 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan

2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan (PubChem CID 14764856) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan.

Molecular Properties

Compound Name2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan
PubChem CID14764856
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan
SMILESCCC(=C=CS(=O)(=O)c1ccc(C)cc1)CCCc1ccco1
InChIInChI=1S/C19H22O3S/c1-3-17(6-4-7-18-8-5-14-22-18)13-15-23(20,21)19-11-9-16(2)10-12-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3
InChIKeyMZFJYZWCWPVYTE-UHFFFAOYSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan?
The IUPAC name of 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan (CID 14764856) is 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan.
What is the SMILES notation for 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan?
The canonical SMILES for 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan is CCC(=C=CS(=O)(=O)c1ccc(C)cc1)CCCc1ccco1.
What is the InChIKey of 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan?
The InChIKey is MZFJYZWCWPVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3S/c1-3-17(6-4-7-18-8-5-14-22-18)13-15-23(20,21)19-11-9-16(2)10-12-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan?
2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan has a molecular weight of 330.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan is sourced from PubChem (CID 14764856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).