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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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
CID 83169174
phenyl 2,3-diethylbenzenesulfonate
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[2,3-bis(methylsulfonyl)phenyl]methanamine
CID 117412708
potassium 5,6-diethylnaphthalene-1-sulfonate
CID 101322426
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3-ethyl-2-hydroxybenzenesulfonic acid
CID 19033634
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
1-methylsulfonylnaphthalene
CID 11206535
3-ethyl-2-sulfanylbenzenesulfonic acid
CID 87251057
N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
CID 82613603
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
2,6-bis(methylsulfonyl)benzaldehyde
CID 125449383

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).