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

C18H15NO6S — CID 2458676

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO6S/c1-19-26(22,23)14-7-4-6-13(9-14)18(21)24-11-15(20)17-10-12-5-2-3-8-16(12)25-17/h2-10,19H,11H2,1H3
InChIKeySLGHRQPTXKTMMW-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.38
Rot. Bonds6

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

[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2458676) has the molecular formula C18H15NO6S and a molecular weight of 373.39 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2458676
Molecular FormulaC18H15NO6S
Molecular Weight373.39 g/mol
Exact Mass373.06
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO6S/c1-19-26(22,23)14-7-4-6-13(9-14)18(21)24-11-15(20)17-10-12-5-2-3-8-16(12)25-17/h2-10,19H,11H2,1H3
InChIKeySLGHRQPTXKTMMW-UHFFFAOYSA-N
XLogP2.38
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2458676) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is SLGHRQPTXKTMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6S/c1-19-26(22,23)14-7-4-6-13(9-14)18(21)24-11-15(20)17-10-12-5-2-3-8-16(12)25-17/h2-10,19H,11H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 373.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2458676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).