1-methyl-4-(4-methylphenyl)sulfonylnaphthalene

C18H16O2S — CID 71080006

IUPAC1-methyl-4-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C18H16O2S/c1-13-7-10-15(11-8-13)21(19,20)18-12-9-14(2)16-5-3-4-6-17(16)18/h3-12H,1-2H3
InChIKeyFINAVULOTHIYRI-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.29
Rot. Bonds2

About 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene

1-methyl-4-(4-methylphenyl)sulfonylnaphthalene (PubChem CID 71080006) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfonylnaphthalene
PubChem CID71080006
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1-methyl-4-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C18H16O2S/c1-13-7-10-15(11-8-13)21(19,20)18-12-9-14(2)16-5-3-4-6-17(16)18/h3-12H,1-2H3
InChIKeyFINAVULOTHIYRI-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-10-(4-methylnaphthalen-1-yl)sulfonylanthracene
CID 163837804
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
2-(4-methylphenyl)sulfonylphenol
CID 10879464
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
9-methyl-10-(4-methylphenyl)sulfonylanthracene
CID 163541913
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
5-(4-methylphenyl)sulfonyl-1H-benzo[cd]indol-2-one
CID 22759555

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene (CID 71080006) is 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene is Cc1ccc(S(=O)(=O)c2ccc(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene?
The InChIKey is FINAVULOTHIYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-13-7-10-15(11-8-13)21(19,20)18-12-9-14(2)16-5-3-4-6-17(16)18/h3-12H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene?
1-methyl-4-(4-methylphenyl)sulfonylnaphthalene has a molecular weight of 296.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfonylnaphthalene is sourced from PubChem (CID 71080006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).