N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide

C21H20N2O5S — CID 127031095

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(OC)ccc4OC)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-17-10-9-16(14-6-5-7-15(20(14)17)21(23)24)22-29(25,26)19-12-13(27-2)8-11-18(19)28-3/h5-12,22H,4H2,1-3H3
InChIKeyZOBQNXPIKGIFSF-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.64
Rot. Bonds6

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 127031095) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID127031095
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(OC)ccc4OC)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-17-10-9-16(14-6-5-7-15(20(14)17)21(23)24)22-29(25,26)19-12-13(27-2)8-11-18(19)28-3/h5-12,22H,4H2,1-3H3
InChIKeyZOBQNXPIKGIFSF-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide (CID 127031095) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(OC)ccc4OC)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZOBQNXPIKGIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-4-23-17-10-9-16(14-6-5-7-15(20(14)17)21(23)24)22-29(25,26)19-12-13(27-2)8-11-18(19)28-3/h5-12,22H,4H2,1-3H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 127031095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).