2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene

C17H13FO2S — CID 11324042

IUPAC2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C17H13FO2S/c1-12-2-7-16(8-3-12)21(19,20)17-9-5-13-10-15(18)6-4-14(13)11-17/h2-11H,1H3
InChIKeyJEUCCMUXVGEGDT-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.12
Rot. Bonds2

About 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene

2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene (PubChem CID 11324042) has the molecular formula C17H13FO2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene.

Molecular Properties

Compound Name2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
PubChem CID11324042
Molecular FormulaC17H13FO2S
Molecular Weight300.35 g/mol
Exact Mass300.06
IUPAC Name2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C17H13FO2S/c1-12-2-7-16(8-3-12)21(19,20)17-9-5-13-10-15(18)6-4-14(13)11-17/h2-11H,1H3
InChIKeyJEUCCMUXVGEGDT-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene?
The IUPAC name of 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene (CID 11324042) is 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene.
What is the SMILES notation for 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene?
The canonical SMILES for 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene is Cc1ccc(S(=O)(=O)c2ccc3cc(F)ccc3c2)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene?
The InChIKey is JEUCCMUXVGEGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2S/c1-12-2-7-16(8-3-12)21(19,20)17-9-5-13-10-15(18)6-4-14(13)11-17/h2-11H,1H3.
What are the key properties of 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene?
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene has a molecular weight of 300.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene is sourced from PubChem (CID 11324042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).