5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid

C18H15NO7S — CID 1242007

IUPAC5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12
InChIInChI=1S/C18H15NO7S/c1-9(20)17-10(2)26-16-6-3-11(7-14(16)17)19-27(24,25)12-4-5-15(21)13(8-12)18(22)23/h3-8,19,21H,1-2H3,(H,22,23)
InChIKeyZMGVJMAJHOSXOG-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.15
Rot. Bonds5

About 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid

5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 1242007) has the molecular formula C18H15NO7S and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID1242007
Molecular FormulaC18H15NO7S
Molecular Weight389.39 g/mol
Exact Mass389.06
IUPAC Name5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12
InChIInChI=1S/C18H15NO7S/c1-9(20)17-10(2)26-16-6-3-11(7-14(16)17)19-27(24,25)12-4-5-15(21)13(8-12)18(22)23/h3-8,19,21H,1-2H3,(H,22,23)
InChIKeyZMGVJMAJHOSXOG-UHFFFAOYSA-N
XLogP3.15
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid (CID 1242007) is 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid is CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12.
What is the InChIKey of 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is ZMGVJMAJHOSXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7S/c1-9(20)17-10(2)26-16-6-3-11(7-14(16)17)19-27(24,25)12-4-5-15(21)13(8-12)18(22)23/h3-8,19,21H,1-2H3,(H,22,23).
What are the key properties of 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 389.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 1242007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).