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

C16H15NO6S — CID 2811663

IUPAC2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1
InChIInChI=1S/C16H15NO6S/c1-21-12-5-6-14(22-2)15(8-12)24(19,20)17-11-4-3-10-9-23-16(18)13(10)7-11/h3-8,17H,9H2,1-2H3
InChIKeyUYCVIUOAFGEQSG-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.17
Rot. Bonds5

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

2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 2811663) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID2811663
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1
InChIInChI=1S/C16H15NO6S/c1-21-12-5-6-14(22-2)15(8-12)24(19,20)17-11-4-3-10-9-23-16(18)13(10)7-11/h3-8,17H,9H2,1-2H3
InChIKeyUYCVIUOAFGEQSG-UHFFFAOYSA-N
XLogP2.17
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (CID 2811663) is 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is UYCVIUOAFGEQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-21-12-5-6-14(22-2)15(8-12)24(19,20)17-11-4-3-10-9-23-16(18)13(10)7-11/h3-8,17H,9H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 2811663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).