5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid

C17H15NO6S — CID 1079377

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1
InChIInChI=1S/C17H15NO6S/c1-10-16(17(19)20)14-9-11(3-8-15(14)24-10)18-25(21,22)13-6-4-12(23-2)5-7-13/h3-9,18H,1-2H3,(H,19,20)
InChIKeyUTRWISBNXMJCBJ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.25
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid

5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 1079377) has the molecular formula C17H15NO6S and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID1079377
Molecular FormulaC17H15NO6S
Molecular Weight361.38 g/mol
Exact Mass361.06
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1
InChIInChI=1S/C17H15NO6S/c1-10-16(17(19)20)14-9-11(3-8-15(14)24-10)18-25(21,22)13-6-4-12(23-2)5-7-13/h3-9,18H,1-2H3,(H,19,20)
InChIKeyUTRWISBNXMJCBJ-UHFFFAOYSA-N
XLogP3.25
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-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-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid (CID 1079377) is 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid is COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is UTRWISBNXMJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S/c1-10-16(17(19)20)14-9-11(3-8-15(14)24-10)18-25(21,22)13-6-4-12(23-2)5-7-13/h3-9,18H,1-2H3,(H,19,20).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid?
5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 1079377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).