1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide

C22H17N3O3S — CID 90654867

IUPAC1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc5ccncc45)ccc1c23
InChIInChI=1S/C22H17N3O3S/c1-2-25-19-9-10-20(15-6-4-7-16(21(15)19)22(25)26)29(27,28)24-18-8-3-5-14-11-12-23-13-17(14)18/h3-13,24H,2H2,1H3
InChIKeyIZENNZNYQVFPJG-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.17
Rot. Bonds4

About 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 90654867) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID90654867
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc5ccncc45)ccc1c23
InChIInChI=1S/C22H17N3O3S/c1-2-25-19-9-10-20(15-6-4-7-16(21(15)19)22(25)26)29(27,28)24-18-8-3-5-14-11-12-23-13-17(14)18/h3-13,24H,2H2,1H3
InChIKeyIZENNZNYQVFPJG-UHFFFAOYSA-N
XLogP4.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Naphthalen-1-Ylsulfonyl)-N-[(1s)-1-Phenylpropyl]-1h-Indole-5-Carboxamide
CID 114286451
1-methyl-2-oxo-N-(2-pyridinyl)-6-benzo[cd]indolesulfonamide
CID 1094906
1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
CID 1192821
3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide
CID 24980452
4-tert-butyl-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118197518
4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 149019947
1-ethyl-N-(3-methylpyridin-2-yl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1235115
1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534876
N-methyl-2-oxo-N-[2-(2-pyridinyl)ethyl]-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 2133620
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-nicotinamide
CID 16105866
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide
CID 155552169
2-keto-N-(2-pyridylmethyl)-1H-benzo[cd]indole-6-sulfonamide
CID 870241

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide (CID 90654867) is 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc5ccncc45)ccc1c23.
What is the InChIKey of 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is IZENNZNYQVFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-2-25-19-9-10-20(15-6-4-7-16(21(15)19)22(25)26)29(27,28)24-18-8-3-5-14-11-12-23-13-17(14)18/h3-13,24H,2H2,1H3.
What are the key properties of 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90654867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).