1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene

C21H20O4S — CID 102218718

IUPAC1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C21H20O4S/c1-15-14-20(26(22,23)19-10-8-18(25-3)9-11-19)12-13-21(15)16-4-6-17(24-2)7-5-16/h4-14H,1-3H3
InChIKeyLQXRCKZGZDFFOL-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene

1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene (PubChem CID 102218718) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
PubChem CID102218718
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C21H20O4S/c1-15-14-20(26(22,23)19-10-8-18(25-3)9-11-19)12-13-21(15)16-4-6-17(24-2)7-5-16/h4-14H,1-3H3
InChIKeyLQXRCKZGZDFFOL-UHFFFAOYSA-N
XLogP4.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene (CID 102218718) is 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene is COc1ccc(-c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The InChIKey is LQXRCKZGZDFFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-15-14-20(26(22,23)19-10-8-18(25-3)9-11-19)12-13-21(15)16-4-6-17(24-2)7-5-16/h4-14H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene has a molecular weight of 368.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene is sourced from PubChem (CID 102218718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).