1,2-diethyl-3-methylsulfonylbenzene

C11H16O2S — CID 19834656

IUPAC1,2-diethyl-3-methylsulfonylbenzene
SMILESCCc1cccc(S(C)(=O)=O)c1CC
InChIInChI=1S/C11H16O2S/c1-4-9-7-6-8-11(10(9)5-2)14(3,12)13/h6-8H,4-5H2,1-3H3
InChIKeyGGKNDZZKEFSWCB-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.21
Rot. Bonds3

About 1,2-diethyl-3-methylsulfonylbenzene

1,2-diethyl-3-methylsulfonylbenzene (PubChem CID 19834656) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1,2-diethyl-3-methylsulfonylbenzene.

Molecular Properties

Compound Name1,2-diethyl-3-methylsulfonylbenzene
PubChem CID19834656
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1,2-diethyl-3-methylsulfonylbenzene
SMILESCCc1cccc(S(C)(=O)=O)c1CC
InChIInChI=1S/C11H16O2S/c1-4-9-7-6-8-11(10(9)5-2)14(3,12)13/h6-8H,4-5H2,1-3H3
InChIKeyGGKNDZZKEFSWCB-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-methylsulfonylbenzene?
The IUPAC name of 1,2-diethyl-3-methylsulfonylbenzene (CID 19834656) is 1,2-diethyl-3-methylsulfonylbenzene.
What is the SMILES notation for 1,2-diethyl-3-methylsulfonylbenzene?
The canonical SMILES for 1,2-diethyl-3-methylsulfonylbenzene is CCc1cccc(S(C)(=O)=O)c1CC.
What is the InChIKey of 1,2-diethyl-3-methylsulfonylbenzene?
The InChIKey is GGKNDZZKEFSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-4-9-7-6-8-11(10(9)5-2)14(3,12)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,2-diethyl-3-methylsulfonylbenzene?
1,2-diethyl-3-methylsulfonylbenzene has a molecular weight of 212.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-methylsulfonylbenzene is sourced from PubChem (CID 19834656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).