N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

C21H17N3O3S — CID 155563395

IUPACN-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-9-7-15(8-10-16)17-11-12-19(21-18(17)5-4-14-23-21)24-28(25,26)20-6-2-3-13-22-20/h2-14,24H,1H3
InChIKeyXUBXJSFVZPACIN-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds5

About N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (PubChem CID 155563395) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
PubChem CID155563395
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-9-7-15(8-10-16)17-11-12-19(21-18(17)5-4-14-23-21)24-28(25,26)20-6-2-3-13-22-20/h2-14,24H,1H3
InChIKeyXUBXJSFVZPACIN-UHFFFAOYSA-N
XLogP4.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (CID 155563395) is N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is COc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The InChIKey is XUBXJSFVZPACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-16-9-7-15(8-10-16)17-11-12-19(21-18(17)5-4-14-23-21)24-28(25,26)20-6-2-3-13-22-20/h2-14,24H,1H3.
What are the key properties of N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 155563395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).