N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

C23H20N2O4S — CID 26657128

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C
InChIInChI=1S/C23H20N2O4S/c1-15-7-8-19(13-16(15)2)25-30(27,28)20-11-9-18(10-12-20)24-23(26)22-14-17-5-3-4-6-21(17)29-22/h3-14,25H,1-2H3,(H,24,26)
InChIKeyXIOBCEUDGJAMCE-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.10
Rot. Bonds5

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 26657128) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID26657128
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C
InChIInChI=1S/C23H20N2O4S/c1-15-7-8-19(13-16(15)2)25-30(27,28)20-11-9-18(10-12-20)24-23(26)22-14-17-5-3-4-6-21(17)29-22/h3-14,25H,1-2H3,(H,24,26)
InChIKeyXIOBCEUDGJAMCE-UHFFFAOYSA-N
XLogP5.10
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776431
(2S)-2-[[4-[4-(1-benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-4,4,4-trideuterio-3-(trideuteriomethyl)butanoic acid
CID 53464760
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (CID 26657128) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XIOBCEUDGJAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-15-7-8-19(13-16(15)2)25-30(27,28)20-11-9-18(10-12-20)24-23(26)22-14-17-5-3-4-6-21(17)29-22/h3-14,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).