5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide

C17H15BrN2O5S — CID 26921628

IUPAC5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1S(N)(=O)=O
InChIInChI=1S/C17H15BrN2O5S/c1-9-12-7-10(18)3-5-13(12)25-16(9)17(21)20-11-4-6-14(24-2)15(8-11)26(19,22)23/h3-8H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeySKABXDYEVYCTAV-UHFFFAOYSA-N
MW439.29 g/mol
LogP3.41
Rot. Bonds4

About 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 26921628) has the molecular formula C17H15BrN2O5S and a molecular weight of 439.29 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID26921628
Molecular FormulaC17H15BrN2O5S
Molecular Weight439.29 g/mol
Exact Mass437.99
IUPAC Name5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1S(N)(=O)=O
InChIInChI=1S/C17H15BrN2O5S/c1-9-12-7-10(18)3-5-13(12)25-16(9)17(21)20-11-4-6-14(24-2)15(8-11)26(19,22)23/h3-8H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeySKABXDYEVYCTAV-UHFFFAOYSA-N
XLogP3.41
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 4800746
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155942919
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476
methyl 3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-chlorobenzoate
CID 18273257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 26921628) is 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SKABXDYEVYCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5S/c1-9-12-7-10(18)3-5-13(12)25-16(9)17(21)20-11-4-6-14(24-2)15(8-11)26(19,22)23/h3-8H,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 439.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26921628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).