2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

C24H20N2O5S — CID 155536305

IUPAC2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccc(C)o4)cc13)C(=O)N2C
InChIInChI=1S/C24H20N2O5S/c1-14-8-11-20(31-14)15-12-16-18(9-10-19-23(16)17(13-15)24(27)26(19)2)25-32(28,29)22-7-5-4-6-21(22)30-3/h4-13,25H,1-3H3
InChIKeyLXMRIQOUXRGUQR-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.81
Rot. Bonds5

About 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (PubChem CID 155536305) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
PubChem CID155536305
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccc(C)o4)cc13)C(=O)N2C
InChIInChI=1S/C24H20N2O5S/c1-14-8-11-20(31-14)15-12-16-18(9-10-19-23(16)17(13-15)24(27)26(19)2)25-32(28,29)22-7-5-4-6-21(22)30-3/h4-13,25H,1-3H3
InChIKeyLXMRIQOUXRGUQR-UHFFFAOYSA-N
XLogP4.81
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (CID 155536305) is 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccc(C)o4)cc13)C(=O)N2C.
What is the InChIKey of 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The InChIKey is LXMRIQOUXRGUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-14-8-11-20(31-14)15-12-16-18(9-10-19-23(16)17(13-15)24(27)26(19)2)25-32(28,29)22-7-5-4-6-21(22)30-3/h4-13,25H,1-3H3.
What are the key properties of 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is sourced from PubChem (CID 155536305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).