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

C14H14O2S — CID 601881

IUPAC1-methyl-2-(2-methylphenyl)sulfonylbenzene
SMILESCc1ccccc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyKZCDMIJHGSSDFO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.14
Rot. Bonds2

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

1-methyl-2-(2-methylphenyl)sulfonylbenzene (PubChem CID 601881) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)sulfonylbenzene
PubChem CID601881
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-methyl-2-(2-methylphenyl)sulfonylbenzene
SMILESCc1ccccc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyKZCDMIJHGSSDFO-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-methyl-2-(2-methylphenyl)sulfonylbenzene (CID 601881) is 1-methyl-2-(2-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)sulfonylbenzene is Cc1ccccc1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)sulfonylbenzene?
The InChIKey is KZCDMIJHGSSDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)sulfonylbenzene?
1-methyl-2-(2-methylphenyl)sulfonylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 601881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).