2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene

C23H17FO2S — CID 10762072

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO2S/c1-27(25,26)21-12-8-17(9-13-21)23-15-19-5-3-2-4-18(19)14-22(23)16-6-10-20(24)11-7-16/h2-15H,1H3
InChIKeyCGRVXIOZXUPGRG-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.72
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene

2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene (PubChem CID 10762072) has the molecular formula C23H17FO2S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene
PubChem CID10762072
Molecular FormulaC23H17FO2S
Molecular Weight376.45 g/mol
Exact Mass376.09
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO2S/c1-27(25,26)21-12-8-17(9-13-21)23-15-19-5-3-2-4-18(19)14-22(23)16-6-10-20(24)11-7-16/h2-15H,1H3
InChIKeyCGRVXIOZXUPGRG-UHFFFAOYSA-N
XLogP5.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene (CID 10762072) is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene is CS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene?
The InChIKey is CGRVXIOZXUPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO2S/c1-27(25,26)21-12-8-17(9-13-21)23-15-19-5-3-2-4-18(19)14-22(23)16-6-10-20(24)11-7-16/h2-15H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene?
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene has a molecular weight of 376.45 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)naphthalene is sourced from PubChem (CID 10762072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).