7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

C16H12BrNO4S — CID 38912077

IUPAC7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C16H12BrNO4S/c1-23(20,21)12-7-5-11(6-8-12)18-16(19)14-9-10-3-2-4-13(17)15(10)22-14/h2-9H,1H3,(H,18,19)
InChIKeyVSBBIKHJMIOLRD-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.85
Rot. Bonds3

About 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 38912077) has the molecular formula C16H12BrNO4S and a molecular weight of 394.25 g/mol. Its IUPAC name is 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID38912077
Molecular FormulaC16H12BrNO4S
Molecular Weight394.25 g/mol
Exact Mass392.97
IUPAC Name7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C16H12BrNO4S/c1-23(20,21)12-7-5-11(6-8-12)18-16(19)14-9-10-3-2-4-13(17)15(10)22-14/h2-9H,1H3,(H,18,19)
InChIKeyVSBBIKHJMIOLRD-UHFFFAOYSA-N
XLogP3.85
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
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
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 38912077) is 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is VSBBIKHJMIOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO4S/c1-23(20,21)12-7-5-11(6-8-12)18-16(19)14-9-10-3-2-4-13(17)15(10)22-14/h2-9H,1H3,(H,18,19).
What are the key properties of 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 394.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38912077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).