2-[(2-fluorophenyl)methylsulfonyl]naphthalene

C17H13FO2S — CID 56732613

IUPAC2-[(2-fluorophenyl)methylsulfonyl]naphthalene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C17H13FO2S/c18-17-8-4-3-7-15(17)12-21(19,20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11H,12H2
InChIKeyQOWQDJIEGFKOMI-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.95
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfonyl]naphthalene

2-[(2-fluorophenyl)methylsulfonyl]naphthalene (PubChem CID 56732613) has the molecular formula C17H13FO2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfonyl]naphthalene.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfonyl]naphthalene
PubChem CID56732613
Molecular FormulaC17H13FO2S
Molecular Weight300.35 g/mol
Exact Mass300.06
IUPAC Name2-[(2-fluorophenyl)methylsulfonyl]naphthalene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C17H13FO2S/c18-17-8-4-3-7-15(17)12-21(19,20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11H,12H2
InChIKeyQOWQDJIEGFKOMI-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]naphthalene?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]naphthalene (CID 56732613) is 2-[(2-fluorophenyl)methylsulfonyl]naphthalene.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfonyl]naphthalene?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfonyl]naphthalene is O=S(=O)(Cc1ccccc1F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfonyl]naphthalene?
The InChIKey is QOWQDJIEGFKOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2S/c18-17-8-4-3-7-15(17)12-21(19,20)16-10-9-13-5-1-2-6-14(13)11-16/h1-11H,12H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfonyl]naphthalene?
2-[(2-fluorophenyl)methylsulfonyl]naphthalene has a molecular weight of 300.35 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 2-[(2-fluorophenyl)methylsulfonyl]naphthalene is sourced from PubChem (CID 56732613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).