1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene

C18H22O2S — CID 71561951

IUPAC1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene
SMILESCc1cc(C)c(S(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1
InChIInChI=1S/C18H22O2S/c1-11-7-15(5)18(16(6)8-11)21(19,20)17-10-13(3)12(2)9-14(17)4/h7-10H,1-6H3
InChIKeyQXJITWIQGAXQPU-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.37
Rot. Bonds2

About 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene

1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene (PubChem CID 71561951) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene
PubChem CID71561951
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene
SMILESCc1cc(C)c(S(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1
InChIInChI=1S/C18H22O2S/c1-11-7-15(5)18(16(6)8-11)21(19,20)17-10-13(3)12(2)9-14(17)4/h7-10H,1-6H3
InChIKeyQXJITWIQGAXQPU-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene (CID 71561951) is 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene is Cc1cc(C)c(S(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene?
The InChIKey is QXJITWIQGAXQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-11-7-15(5)18(16(6)8-11)21(19,20)17-10-13(3)12(2)9-14(17)4/h7-10H,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene?
1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene has a molecular weight of 302.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene is sourced from PubChem (CID 71561951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).