1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene

C16H18O2S — CID 5134322

IUPAC1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3
InChIKeyXXZULIYPYBJODM-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.75
Rot. Bonds2

About 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene

1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene (PubChem CID 5134322) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
PubChem CID5134322
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3
InChIKeyXXZULIYPYBJODM-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651
3-(3-methylphenyl)sulfonylphenol
CID 134285490
1-[3-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene;1-[4-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene
CID 162084371
4-(3-methylphenyl)sulfonylphenol
CID 19739466
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
3-methylbenzenesulfonamide
CID 69347063
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
sodium 3-methylbenzenesulfonate
CID 23684709
N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine
CID 123778165
methyl-(3-methylphenyl)sulfonylazanide
CID 59280538
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene (CID 5134322) is 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene is Cc1cccc(S(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene?
The InChIKey is XXZULIYPYBJODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene?
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene has a molecular weight of 274.38 g/mol, XLogP of 3.75, 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-(3-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 5134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).