N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide

C17H13N3O3S — CID 155564647

IUPACN-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccnc4)ccc1c23
InChIInChI=1S/C17H13N3O3S/c1-20-15-8-7-14(12-5-2-6-13(16(12)15)17(20)21)19-24(22,23)11-4-3-9-18-10-11/h2-10,19H,1H3
InChIKeyHQXATBAWDPRBET-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.63
Rot. Bonds3

About N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide

N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide (PubChem CID 155564647) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide
PubChem CID155564647
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccnc4)ccc1c23
InChIInChI=1S/C17H13N3O3S/c1-20-15-8-7-14(12-5-2-6-13(16(12)15)17(20)21)19-24(22,23)11-4-3-9-18-10-11/h2-10,19H,1H3
InChIKeyHQXATBAWDPRBET-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-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

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
4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197424
4-tert-butyl-N-[7-cyano-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118197515
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-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139369429
4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 149019947
US10385036, Example 34
CID 122443207
2-(2-oxobenzo[cd]indol-1(2H)-yl)-N-(3-pyridinylmethyl)acetamide
CID 848348

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide (CID 155564647) is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide is CN1C(=O)c2cccc3c(NS(=O)(=O)c4cccnc4)ccc1c23.
What is the InChIKey of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide?
The InChIKey is HQXATBAWDPRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-20-15-8-7-14(12-5-2-6-13(16(12)15)17(20)21)19-24(22,23)11-4-3-9-18-10-11/h2-10,19H,1H3.
What are the key properties of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide?
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 155564647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).