5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

C17H14FNO5S — CID 3235597

IUPAC5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H14FNO5S/c1-10-14-8-13(6-7-15(14)24-16(10)17(20)21)25(22,23)19-9-11-2-4-12(18)5-3-11/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyZTWFXUYOOWLIJC-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.06
Rot. Bonds5

About 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 3235597) has the molecular formula C17H14FNO5S and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID3235597
Molecular FormulaC17H14FNO5S
Molecular Weight363.37 g/mol
Exact Mass363.06
IUPAC Name5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H14FNO5S/c1-10-14-8-13(6-7-15(14)24-16(10)17(20)21)25(22,23)19-9-11-2-4-12(18)5-3-11/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyZTWFXUYOOWLIJC-UHFFFAOYSA-N
XLogP3.06
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methylsulfamoyl]-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-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 3235597) is 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is ZTWFXUYOOWLIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5S/c1-10-14-8-13(6-7-15(14)24-16(10)17(20)21)25(22,23)19-9-11-2-4-12(18)5-3-11/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 3235597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).