[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C18H18N2O5S — CID 2585631

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H18N2O5S/c1-19-26(23,24)15-7-4-6-14(11-15)18(22)25-12-17(21)20-10-9-13-5-2-3-8-16(13)20/h2-8,11,19H,9-10,12H2,1H3
InChIKeyYIGPUCWCSHBUMW-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.34
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2585631) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2585631
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H18N2O5S/c1-19-26(23,24)15-7-4-6-14(11-15)18(22)25-12-17(21)20-10-9-13-5-2-3-8-16(13)20/h2-8,11,19H,9-10,12H2,1H3
InChIKeyYIGPUCWCSHBUMW-UHFFFAOYSA-N
XLogP1.34
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2585631) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is YIGPUCWCSHBUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-19-26(23,24)15-7-4-6-14(11-15)18(22)25-12-17(21)20-10-9-13-5-2-3-8-16(13)20/h2-8,11,19H,9-10,12H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 374.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).