1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene

C20H15FO2S — CID 173256046

IUPAC1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene
SMILESCc1c(F)cccc1S(=O)(=O)C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C20H15FO2S/c1-13-17(21)9-4-10-18(13)24(22,23)19-12-11-15-6-2-5-14-7-3-8-16(19)20(14)15/h2-12,19H,1H3
InChIKeyWZNRKUVGXOJFSM-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.83
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene

1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene (PubChem CID 173256046) has the molecular formula C20H15FO2S and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene
PubChem CID173256046
Molecular FormulaC20H15FO2S
Molecular Weight338.40 g/mol
Exact Mass338.08
IUPAC Name1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene
SMILESCc1c(F)cccc1S(=O)(=O)C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C20H15FO2S/c1-13-17(21)9-4-10-18(13)24(22,23)19-12-11-15-6-2-5-14-7-3-8-16(19)20(14)15/h2-12,19H,1H3
InChIKeyWZNRKUVGXOJFSM-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene (CID 173256046) is 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene is Cc1c(F)cccc1S(=O)(=O)C1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene?
The InChIKey is WZNRKUVGXOJFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO2S/c1-13-17(21)9-4-10-18(13)24(22,23)19-12-11-15-6-2-5-14-7-3-8-16(19)20(14)15/h2-12,19H,1H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene?
1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene has a molecular weight of 338.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene is sourced from PubChem (CID 173256046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).