5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan

C21H22O3S — CID 132600194

IUPAC5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H22O3S/c1-16-9-12-18(13-10-16)25(22,23)20-15-21(2,3)24-19(20)14-11-17-7-5-4-6-8-17/h4-15,19H,1-3H3/b14-11+
InChIKeyZRQDLZYHZAXNRE-SDNWHVSQSA-N
MW354.47 g/mol
LogP4.54
Rot. Bonds4

About 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan

5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan (PubChem CID 132600194) has the molecular formula C21H22O3S and a molecular weight of 354.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan
PubChem CID132600194
Molecular FormulaC21H22O3S
Molecular Weight354.47 g/mol
Exact Mass354.13
IUPAC Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H22O3S/c1-16-9-12-18(13-10-16)25(22,23)20-15-21(2,3)24-19(20)14-11-17-7-5-4-6-8-17/h4-15,19H,1-3H3/b14-11+
InChIKeyZRQDLZYHZAXNRE-SDNWHVSQSA-N
XLogP4.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
(z)-3-Fluoro-4-phenyl-1-(p-tolylsulphonyl) but-3-en2-ol
CID 14641162
1-methyl-4-[(E)-2-phenylselanyl-1-propoxyethenyl]sulfonylbenzene
CID 10916249
1-[(E)-3-methoxy-2-phenylselanylprop-1-enyl]sulfonyl-4-methylbenzene
CID 11047164
1-[(E)-2-[(E)-but-2-enoxy]but-2-enyl]sulfonyl-4-methylbenzene
CID 13146840
1-Methyl-4-[3-methyl-2-(3-methylbut-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13249890
1-[2-(2-Cyclohexylideneethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13249891
1-[2-Cyclohexylidene-2-(3-methylbut-2-enoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249892
1-[2-Cyclohexylidene-2-(2-cyclohexylideneethoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249893
1-methyl-4-[(E)-2-prop-2-enoxybut-2-enyl]sulfonylbenzene
CID 13842659
1-[2-(3-Ethylpent-2-enoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842669
1-Methyl-4-[3-methyl-2-(4-methyl-3-propan-2-ylpent-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13842670

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan?
The IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan (CID 132600194) is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan.
What is the SMILES notation for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan?
The canonical SMILES for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2/C=C/c2ccccc2)cc1.
What is the InChIKey of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan?
The InChIKey is ZRQDLZYHZAXNRE-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H22O3S/c1-16-9-12-18(13-10-16)25(22,23)20-15-21(2,3)24-19(20)14-11-17-7-5-4-6-8-17/h4-15,19H,1-3H3/b14-11+.
What are the key properties of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan?
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan has a molecular weight of 354.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2H-furan is sourced from PubChem (CID 132600194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).