5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan

C19H20O3S — CID 132600195

IUPAC5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h4-13,18H,1-3H3
InChIKeyNUYIOSZAJFGQCV-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.20
Rot. Bonds3

About 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan

5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan (PubChem CID 132600195) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan
PubChem CID132600195
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h4-13,18H,1-3H3
InChIKeyNUYIOSZAJFGQCV-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan?
The IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan (CID 132600195) is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan.
What is the SMILES notation for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan?
The canonical SMILES for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2c2ccccc2)cc1.
What is the InChIKey of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan?
The InChIKey is NUYIOSZAJFGQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h4-13,18H,1-3H3.
What are the key properties of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan?
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-furan has a molecular weight of 328.43 g/mol, XLogP of 4.20, 3 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-phenyl-2H-furan is sourced from PubChem (CID 132600195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).