2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide

C20H19NO6S — CID 651839

IUPAC2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1
InChIInChI=1S/C20H19NO6S/c1-25-13-7-9-17(26-2)19(11-13)28(23,24)21-12-6-8-16-14(10-12)20-15(22)4-3-5-18(20)27-16/h6-11,21H,3-5H2,1-2H3
InChIKeyAIPCQWNZIUQADU-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.77
Rot. Bonds5

About 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide

2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide (PubChem CID 651839) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide
PubChem CID651839
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1
InChIInChI=1S/C20H19NO6S/c1-25-13-7-9-17(26-2)19(11-13)28(23,24)21-12-6-8-16-14(10-12)20-15(22)4-3-5-18(20)27-16/h6-11,21H,3-5H2,1-2H3
InChIKeyAIPCQWNZIUQADU-UHFFFAOYSA-N
XLogP3.77
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide (CID 651839) is 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1.
What is the InChIKey of 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is AIPCQWNZIUQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-25-13-7-9-17(26-2)19(11-13)28(23,24)21-12-6-8-16-14(10-12)20-15(22)4-3-5-18(20)27-16/h6-11,21H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide?
2,5-dimethoxy-N-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 3.77, 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-(9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 651839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).