N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

C14H11NO4S — CID 2822400

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C14H11NO4S/c16-14-13-8-11(7-6-10(13)9-19-14)15-20(17,18)12-4-2-1-3-5-12/h1-8,15H,9H2
InChIKeyOUXVSZBHKFFPKS-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.16
Rot. Bonds3

About N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 2822400) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID2822400
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C14H11NO4S/c16-14-13-8-11(7-6-10(13)9-19-14)15-20(17,18)12-4-2-1-3-5-12/h1-8,15H,9H2
InChIKeyOUXVSZBHKFFPKS-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (CID 2822400) is N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is O=C1OCc2ccc(NS(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is OUXVSZBHKFFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-14-13-8-11(7-6-10(13)9-19-14)15-20(17,18)12-4-2-1-3-5-12/h1-8,15H,9H2.
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 289.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 2822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).