1,2-dimethyl-4-propan-2-ylsulfonylbenzene

C11H16O2S — CID 58551166

IUPAC1,2-dimethyl-4-propan-2-ylsulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)C)cc1C
InChIInChI=1S/C11H16O2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3
InChIKeyYBQMPYWGSYATAE-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.49
Rot. Bonds2

About 1,2-dimethyl-4-propan-2-ylsulfonylbenzene

1,2-dimethyl-4-propan-2-ylsulfonylbenzene (PubChem CID 58551166) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylsulfonylbenzene
PubChem CID58551166
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1,2-dimethyl-4-propan-2-ylsulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C(C)C)cc1C
InChIInChI=1S/C11H16O2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3
InChIKeyYBQMPYWGSYATAE-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
2-(3,4-dimethylphenyl)sulfonyl-3-methylpentanenitrile
CID 79446886
2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
CID 86992879
3,4-dimethylbenzenesulfonic acid;hydrate
CID 155773835
3,4-dimethylbenzenesulfonic acid;iron
CID 174654800
3-(3,4-dimethylphenyl)sulfonylpentanenitrile
CID 64691790
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
calcium;3,4-dimethylbenzenesulfonic acid;hydride
CID 173320059
1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
CID 64640027
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene (CID 58551166) is 1,2-dimethyl-4-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene is Cc1ccc(S(=O)(=O)C(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene?
The InChIKey is YBQMPYWGSYATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene?
1,2-dimethyl-4-propan-2-ylsulfonylbenzene has a molecular weight of 212.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 58551166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).