N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

C17H15NO4S — CID 738158

IUPACN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H15NO4S/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14/h3-10,18H,1-2H3
InChIKeyYGMUNKYGFOAJCR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.74
Rot. Bonds4

About N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide (PubChem CID 738158) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide
PubChem CID738158
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H15NO4S/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14/h3-10,18H,1-2H3
InChIKeyYGMUNKYGFOAJCR-UHFFFAOYSA-N
XLogP3.74
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide (CID 738158) is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide is CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is YGMUNKYGFOAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-11(19)17-12(2)22-16-9-8-13(10-15(16)17)18-23(20,21)14-6-4-3-5-7-14/h3-10,18H,1-2H3.
What are the key properties of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide?
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 738158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).