N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

C17H16N2O4S — CID 2672846

IUPACN-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H16N2O4S/c1-19(2)24(21,22)14-9-7-13(8-10-14)18-17(20)16-11-12-5-3-4-6-15(12)23-16/h3-11H,1-2H3,(H,18,20)
InChIKeyLVVUKJSKGIVZET-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2672846) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2672846
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H16N2O4S/c1-19(2)24(21,22)14-9-7-13(8-10-14)18-17(20)16-11-12-5-3-4-6-15(12)23-16/h3-11H,1-2H3,(H,18,20)
InChIKeyLVVUKJSKGIVZET-UHFFFAOYSA-N
XLogP2.94
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 2672846) is N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LVVUKJSKGIVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19(2)24(21,22)14-9-7-13(8-10-14)18-17(20)16-11-12-5-3-4-6-15(12)23-16/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2672846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).