1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene

C16H18O2S — CID 12648459

IUPAC1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18O2S/c1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-12H,1-3H3
InChIKeySQCZNJYMUGIDKB-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.95
Rot. Bonds3

About 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene

1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene (PubChem CID 12648459) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
PubChem CID12648459
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18O2S/c1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-12H,1-3H3
InChIKeySQCZNJYMUGIDKB-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
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
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
[(2S)-2-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168606
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene (CID 12648459) is 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The InChIKey is SQCZNJYMUGIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-12H,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene has a molecular weight of 274.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene is sourced from PubChem (CID 12648459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).