4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene

C17H20O2S — CID 90181116

IUPAC4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
SMILESCCc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H20O2S/c1-5-15-7-9-17(11-14(15)4)20(18,19)16-8-6-12(2)13(3)10-16/h6-11H,5H2,1-4H3
InChIKeyIACGCBFLXURLOE-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.01
Rot. Bonds3

About 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene

4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene (PubChem CID 90181116) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
PubChem CID90181116
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
SMILESCCc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H20O2S/c1-5-15-7-9-17(11-14(15)4)20(18,19)16-8-6-12(2)13(3)10-16/h6-11H,5H2,1-4H3
InChIKeyIACGCBFLXURLOE-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[2-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenyl]ethyl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 146371641
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfonylbenzene
CID 3090076
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
CID 159836116
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-butyl-3-methylbenzenesulfonic acid
CID 21407834
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
[4-[(3,4-dimethylphenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486133

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene?
The IUPAC name of 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene (CID 90181116) is 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene.
What is the SMILES notation for 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene?
The canonical SMILES for 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene is CCc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene?
The InChIKey is IACGCBFLXURLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-5-15-7-9-17(11-14(15)4)20(18,19)16-8-6-12(2)13(3)10-16/h6-11H,5H2,1-4H3.
What are the key properties of 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene?
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene has a molecular weight of 288.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene is sourced from PubChem (CID 90181116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).