2-(4-methylphenyl)sulfonylnaphthalene

C17H14O2S — CID 518736

IUPAC2-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
InChIKeyUOUHDIZYOCFQKG-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.98
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylnaphthalene

2-(4-methylphenyl)sulfonylnaphthalene (PubChem CID 518736) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylnaphthalene.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylnaphthalene
PubChem CID518736
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name2-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
InChIKeyUOUHDIZYOCFQKG-UHFFFAOYSA-N
XLogP3.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Naphthalenesulfonic acid
CID 8420
Sodium 2-naphthalenesulfonate
CID 23661868
Naphthalene-2-sulfonamide
CID 232997
2-Naphthalenesulfonyl chloride
CID 7125
2-Anthracenesulfonyl chloride
CID 284320
2-Naphthalenesulfonate
CID 3769791
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567
Naphthalene-2-sulfonic acid--water (1/1)
CID 20499058
Potassium phenanthrene-3-sulfonate
CID 23667941
(2-(4-(Methylsulfonyl)phenyl)hex-1-ene-1,1-diyl)dibenzene
CID 10408088
1-((Z)-1,2-Diphenyl-oct-1-enyl)-4-methanesulfonyl-benzene
CID 11247111

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylnaphthalene?
The IUPAC name of 2-(4-methylphenyl)sulfonylnaphthalene (CID 518736) is 2-(4-methylphenyl)sulfonylnaphthalene.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylnaphthalene?
The canonical SMILES for 2-(4-methylphenyl)sulfonylnaphthalene is Cc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylnaphthalene?
The InChIKey is UOUHDIZYOCFQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylnaphthalene?
2-(4-methylphenyl)sulfonylnaphthalene has a molecular weight of 282.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylnaphthalene is sourced from PubChem (CID 518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).