N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide

C21H21NO5S — CID 1184152

IUPACN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C21H21NO5S/c1-21(2)11-17(23)20-16-10-13(4-9-18(16)27-19(20)12-21)22-28(24,25)15-7-5-14(26-3)6-8-15/h4-10,22H,11-12H2,1-3H3
InChIKeyMIEKHSMUGGQNQR-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.40
Rot. Bonds4

About N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide

N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 1184152) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide
PubChem CID1184152
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C21H21NO5S/c1-21(2)11-17(23)20-16-10-13(4-9-18(16)27-19(20)12-21)22-28(24,25)15-7-5-14(26-3)6-8-15/h4-10,22H,11-12H2,1-3H3
InChIKeyMIEKHSMUGGQNQR-UHFFFAOYSA-N
XLogP4.40
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide (CID 1184152) is N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1.
What is the InChIKey of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is MIEKHSMUGGQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-21(2)11-17(23)20-16-10-13(4-9-18(16)27-19(20)12-21)22-28(24,25)15-7-5-14(26-3)6-8-15/h4-10,22H,11-12H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide?
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1184152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).