N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide

C22H19NO5S — CID 1183863

IUPACN-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1
InChIInChI=1S/C22H19NO5S/c1-13(24)21-14(2)28-22-18-7-5-4-6-17(18)20(12-19(21)22)23-29(25,26)16-10-8-15(27-3)9-11-16/h4-12,23H,1-3H3
InChIKeyFGSOGDMHRSDVNW-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.91
Rot. Bonds5

About N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide

N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 1183863) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide
PubChem CID1183863
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC NameN-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1
InChIInChI=1S/C22H19NO5S/c1-13(24)21-14(2)28-22-18-7-5-4-6-17(18)20(12-19(21)22)23-29(25,26)16-10-8-15(27-3)9-11-16/h4-12,23H,1-3H3
InChIKeyFGSOGDMHRSDVNW-UHFFFAOYSA-N
XLogP4.91
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide (CID 1183863) is N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1.
What is the InChIKey of N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is FGSOGDMHRSDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-13(24)21-14(2)28-22-18-7-5-4-6-17(18)20(12-19(21)22)23-29(25,26)16-10-8-15(27-3)9-11-16/h4-12,23H,1-3H3.
What are the key properties of N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide?
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1183863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).