1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide

C19H17N3O3S — CID 1192821

IUPAC1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccn4)ccc1c23
InChIInChI=1S/C19H17N3O3S/c1-2-22-16-9-10-17(14-7-5-8-15(18(14)16)19(22)23)26(24,25)21-12-13-6-3-4-11-20-13/h3-11,21H,2,12H2,1H3
InChIKeyIIKQWKDJPZHRJE-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.69
Rot. Bonds5

About 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide

1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide (PubChem CID 1192821) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide
PubChem CID1192821
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccn4)ccc1c23
InChIInChI=1S/C19H17N3O3S/c1-2-22-16-9-10-17(14-7-5-8-15(18(14)16)19(22)23)26(24,25)21-12-13-6-3-4-11-20-13/h3-11,21H,2,12H2,1H3
InChIKeyIIKQWKDJPZHRJE-UHFFFAOYSA-N
XLogP2.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxsi-2
CID 6419747
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
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-[4-(1-butyryl-piperidin-4-ylsulfamoyl)-naphthalen-1-yl]-2-methyl-nicotinamide
CID 16105865
3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358923
4-tert-butyl-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118197518
4-tert-butyl-N-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197598
4-tert-butyl-N-[7-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118204847
3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139373111
(S)-N-(1-((5-(N-(tert-Butyl)sulfamoyl)naphthalen-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146013153
4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 149019947

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide (CID 1192821) is 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccn4)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is IIKQWKDJPZHRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-22-16-9-10-17(14-7-5-8-15(18(14)16)19(22)23)26(24,25)21-12-13-6-3-4-11-20-13/h3-11,21H,2,12H2,1H3.
What are the key properties of 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(pyridin-2-ylmethyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1192821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).