7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

C19H19BrN2O4S — CID 38887772

IUPAC7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-3-22(4-2)27(24,25)15-10-8-14(9-11-15)21-19(23)17-12-13-6-5-7-16(20)18(13)26-17/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyDDHIJJBSTXJDLN-UHFFFAOYSA-N
MW451.34 g/mol
LogP4.48
Rot. Bonds6

About 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 38887772) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID38887772
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-3-22(4-2)27(24,25)15-10-8-14(9-11-15)21-19(23)17-12-13-6-5-7-16(20)18(13)26-17/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyDDHIJJBSTXJDLN-UHFFFAOYSA-N
XLogP4.48
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38887347
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 38887772) is 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is DDHIJJBSTXJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-3-22(4-2)27(24,25)15-10-8-14(9-11-15)21-19(23)17-12-13-6-5-7-16(20)18(13)26-17/h5-12H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38887772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).