1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene

C21H20O3S — CID 102218710

IUPAC1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C21H20O3S/c1-15-4-10-19(11-5-15)25(22,23)20-12-13-21(16(2)14-20)17-6-8-18(24-3)9-7-17/h4-14H,1-3H3
InChIKeyAMSZDRIYYDKDDP-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.81
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene

1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 102218710) has the molecular formula C21H20O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene
PubChem CID102218710
Molecular FormulaC21H20O3S
Molecular Weight352.46 g/mol
Exact Mass352.11
IUPAC Name1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C21H20O3S/c1-15-4-10-19(11-5-15)25(22,23)20-12-13-21(16(2)14-20)17-6-8-18(24-3)9-7-17/h4-14H,1-3H3
InChIKeyAMSZDRIYYDKDDP-UHFFFAOYSA-N
XLogP4.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene (CID 102218710) is 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene is COc1ccc(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is AMSZDRIYYDKDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3S/c1-15-4-10-19(11-5-15)25(22,23)20-12-13-21(16(2)14-20)17-6-8-18(24-3)9-7-17/h4-14H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene?
1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 352.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 102218710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).