1-methylsulfonylnaphthalene

C11H10O2S — CID 11206535

IUPAC1-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C11H10O2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyRJDVUMLFYFNKEW-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.24
Rot. Bonds1

About 1-methylsulfonylnaphthalene

1-methylsulfonylnaphthalene (PubChem CID 11206535) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-methylsulfonylnaphthalene
PubChem CID11206535
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name1-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C11H10O2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyRJDVUMLFYFNKEW-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylnaphthalene?
The IUPAC name of 1-methylsulfonylnaphthalene (CID 11206535) is 1-methylsulfonylnaphthalene.
What is the SMILES notation for 1-methylsulfonylnaphthalene?
The canonical SMILES for 1-methylsulfonylnaphthalene is CS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-methylsulfonylnaphthalene?
The InChIKey is RJDVUMLFYFNKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 1-methylsulfonylnaphthalene?
1-methylsulfonylnaphthalene has a molecular weight of 206.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylnaphthalene is sourced from PubChem (CID 11206535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).