3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

C16H15NO6S — CID 713216

IUPAC3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC
InChIInChI=1S/C16H15NO6S/c1-21-14-6-4-12(8-15(14)22-2)24(19,20)17-11-3-5-13-10(7-11)9-23-16(13)18/h3-8,17H,9H2,1-2H3
InChIKeyOFEKBIRTKUARJL-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.17
Rot. Bonds5

About 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 713216) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID713216
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC
InChIInChI=1S/C16H15NO6S/c1-21-14-6-4-12(8-15(14)22-2)24(19,20)17-11-3-5-13-10(7-11)9-23-16(13)18/h3-8,17H,9H2,1-2H3
InChIKeyOFEKBIRTKUARJL-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 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (CID 713216) is 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is OFEKBIRTKUARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-21-14-6-4-12(8-15(14)22-2)24(19,20)17-11-3-5-13-10(7-11)9-23-16(13)18/h3-8,17H,9H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1-oxo-3H-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 3,4-dimethoxy-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 713216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).