8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline

C18H15FN2O2S — CID 60534849

IUPAC8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)c2ccccc21
InChIInChI=1S/C18H15FN2O2S/c1-12-11-21(16-7-3-2-5-13(12)16)24(22,23)17-9-8-15(19)18-14(17)6-4-10-20-18/h2-10,12H,11H2,1H3
InChIKeyBLGBWLIGABAJRI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.69
Rot. Bonds2

About 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline

8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (PubChem CID 60534849) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.

Molecular Properties

Compound Name8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
PubChem CID60534849
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)c2ccccc21
InChIInChI=1S/C18H15FN2O2S/c1-12-11-21(16-7-3-2-5-13(12)16)24(22,23)17-9-8-15(19)18-14(17)6-4-10-20-18/h2-10,12H,11H2,1H3
InChIKeyBLGBWLIGABAJRI-UHFFFAOYSA-N
XLogP3.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The IUPAC name of 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (CID 60534849) is 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.
What is the SMILES notation for 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The canonical SMILES for 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is CC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)c2ccccc21.
What is the InChIKey of 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The InChIKey is BLGBWLIGABAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-12-11-21(16-7-3-2-5-13(12)16)24(22,23)17-9-8-15(19)18-14(17)6-4-10-20-18/h2-10,12H,11H2,1H3.
What are the key properties of 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline has a molecular weight of 342.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is sourced from PubChem (CID 60534849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).