[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate

C18H15FN2O5S — CID 8852230

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15FN2O5S/c1-20-27(24,25)11-6-7-15(19)13(8-11)18(23)26-10-17(22)14-9-21-16-5-3-2-4-12(14)16/h2-9,20-21H,10H2,1H3
InChIKeyZVTNYDGOSVTAQC-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.25
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 8852230) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID8852230
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15FN2O5S/c1-20-27(24,25)11-6-7-15(19)13(8-11)18(23)26-10-17(22)14-9-21-16-5-3-2-4-12(14)16/h2-9,20-21H,10H2,1H3
InChIKeyZVTNYDGOSVTAQC-UHFFFAOYSA-N
XLogP2.25
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate 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 [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate (CID 8852230) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is ZVTNYDGOSVTAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-20-27(24,25)11-6-7-15(19)13(8-11)18(23)26-10-17(22)14-9-21-16-5-3-2-4-12(14)16/h2-9,20-21H,10H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 390.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 8852230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).