1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene

C16H18O2S — CID 15741776

IUPAC1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene
SMILESCc1cccc(S(=O)(=O)c2cccc(C)c2C)c1C
InChIInChI=1S/C16H18O2S/c1-11-7-5-9-15(13(11)3)19(17,18)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyIOGPZWCEELGKFR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.75
Rot. Bonds2

About 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene

1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene (PubChem CID 15741776) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene
PubChem CID15741776
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene
SMILESCc1cccc(S(=O)(=O)c2cccc(C)c2C)c1C
InChIInChI=1S/C16H18O2S/c1-11-7-5-9-15(13(11)3)19(17,18)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyIOGPZWCEELGKFR-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 ≤ 500274.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene?
The IUPAC name of 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene (CID 15741776) is 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene.
What is the SMILES notation for 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene?
The canonical SMILES for 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene is Cc1cccc(S(=O)(=O)c2cccc(C)c2C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene?
The InChIKey is IOGPZWCEELGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-11-7-5-9-15(13(11)3)19(17,18)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene?
1-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene has a molecular weight of 274.39 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-(2,3-dimethylphenyl)sulfonyl-2,3-dimethylbenzene is sourced from PubChem (CID 15741776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).