5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

C17H15NO5S — CID 3237628

IUPAC5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C17H15NO5S/c1-11-14-9-13(7-8-15(14)23-16(11)17(19)20)24(21,22)18-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyNHRDJTMODHBQFW-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.92
Rot. Bonds5

About 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 3237628) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID3237628
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C17H15NO5S/c1-11-14-9-13(7-8-15(14)23-16(11)17(19)20)24(21,22)18-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyNHRDJTMODHBQFW-UHFFFAOYSA-N
XLogP2.92
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid 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 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid (CID 3237628) is 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccccc3)cc12.
What is the InChIKey of 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is NHRDJTMODHBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-11-14-9-13(7-8-15(14)23-16(11)17(19)20)24(21,22)18-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid?
5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 3237628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).