2-fluoro-1-(4-methylphenyl)sulfonylindole

C15H12FNO2S — CID 14921041

IUPAC2-fluoro-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(F)cc3ccccc32)cc1
InChIInChI=1S/C15H12FNO2S/c1-11-6-8-13(9-7-11)20(18,19)17-14-5-3-2-4-12(14)10-15(17)16/h2-10H,1H3
InChIKeyDWLFMUVLLPIUIW-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.33
Rot. Bonds2

About 2-fluoro-1-(4-methylphenyl)sulfonylindole

2-fluoro-1-(4-methylphenyl)sulfonylindole (PubChem CID 14921041) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-fluoro-1-(4-methylphenyl)sulfonylindole
PubChem CID14921041
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name2-fluoro-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(F)cc3ccccc32)cc1
InChIInChI=1S/C15H12FNO2S/c1-11-6-8-13(9-7-11)20(18,19)17-14-5-3-2-4-12(14)10-15(17)16/h2-10H,1H3
InChIKeyDWLFMUVLLPIUIW-UHFFFAOYSA-N
XLogP3.33
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2-fluoro-1-(4-methylphenyl)sulfonylindole (CID 14921041) is 2-fluoro-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2-fluoro-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2-fluoro-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2c(F)cc3ccccc32)cc1.
What is the InChIKey of 2-fluoro-1-(4-methylphenyl)sulfonylindole?
The InChIKey is DWLFMUVLLPIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-11-6-8-13(9-7-11)20(18,19)17-14-5-3-2-4-12(14)10-15(17)16/h2-10H,1H3.
What are the key properties of 2-fluoro-1-(4-methylphenyl)sulfonylindole?
2-fluoro-1-(4-methylphenyl)sulfonylindole has a molecular weight of 289.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 14921041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).