1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol

C16H14BrFN2O3S — CID 70568192

IUPAC1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1
InChIInChI=1S/C16H14BrFN2O3S/c1-24(22,23)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3
InChIKeyNLTKFPGSFBRNKL-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.21
Rot. Bonds4

About 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol

1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol (PubChem CID 70568192) has the molecular formula C16H14BrFN2O3S and a molecular weight of 413.27 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol
PubChem CID70568192
Molecular FormulaC16H14BrFN2O3S
Molecular Weight413.27 g/mol
Exact Mass411.99
IUPAC Name1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1
InChIInChI=1S/C16H14BrFN2O3S/c1-24(22,23)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3
InChIKeyNLTKFPGSFBRNKL-UHFFFAOYSA-N
XLogP3.21
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol (CID 70568192) is 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1.
What is the InChIKey of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol?
The InChIKey is NLTKFPGSFBRNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3S/c1-24(22,23)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3.
What are the key properties of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol?
1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol has a molecular weight of 413.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 70568192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).