1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene

C17H24O2S — CID 11289355

IUPAC1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H24O2S/c1-13-6-8-14(9-7-13)20(18,19)15-10-16(2,3)12-17(4,5)11-15/h6-10H,11-12H2,1-5H3
InChIKeyADWJCVTVJAWMHA-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.50
Rot. Bonds2

About 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene

1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene (PubChem CID 11289355) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene
PubChem CID11289355
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H24O2S/c1-13-6-8-14(9-7-13)20(18,19)15-10-16(2,3)12-17(4,5)11-15/h6-10H,11-12H2,1-5H3
InChIKeyADWJCVTVJAWMHA-UHFFFAOYSA-N
XLogP4.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene
CID 16754963
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
3-(4-methylphenyl)sulfonylcyclohex-2-en-1-one
CID 135393625

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene (CID 11289355) is 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene is Cc1ccc(S(=O)(=O)C2=CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene?
The InChIKey is ADWJCVTVJAWMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-13-6-8-14(9-7-13)20(18,19)15-10-16(2,3)12-17(4,5)11-15/h6-10H,11-12H2,1-5H3.
What are the key properties of 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene?
1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene has a molecular weight of 292.44 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)sulfonylbenzene is sourced from PubChem (CID 11289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).