2-benzylsulfonylnaphthalene

C17H14O2S — CID 747791

IUPAC2-benzylsulfonylnaphthalene
SMILESO=S(=O)(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14O2S/c18-20(19,13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeyBFDIYXDNKSFSOY-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.81
Rot. Bonds3

About 2-benzylsulfonylnaphthalene

2-benzylsulfonylnaphthalene (PubChem CID 747791) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-benzylsulfonylnaphthalene.

Molecular Properties

Compound Name2-benzylsulfonylnaphthalene
PubChem CID747791
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name2-benzylsulfonylnaphthalene
SMILESO=S(=O)(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14O2S/c18-20(19,13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeyBFDIYXDNKSFSOY-UHFFFAOYSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylnaphthalene?
The IUPAC name of 2-benzylsulfonylnaphthalene (CID 747791) is 2-benzylsulfonylnaphthalene.
What is the SMILES notation for 2-benzylsulfonylnaphthalene?
The canonical SMILES for 2-benzylsulfonylnaphthalene is O=S(=O)(Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-benzylsulfonylnaphthalene?
The InChIKey is BFDIYXDNKSFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c18-20(19,13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2.
What are the key properties of 2-benzylsulfonylnaphthalene?
2-benzylsulfonylnaphthalene has a molecular weight of 282.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylnaphthalene is sourced from PubChem (CID 747791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).