4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide

C21H17N3O3S — CID 118873471

IUPAC4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-6-8-17(9-7-16)28(25,26)24-20-11-10-18(15-4-2-12-22-14-15)19-5-3-13-23-21(19)20/h2-14,24H,1H3
InChIKeyOFJDVIZGNKANHZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds5

About 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide

4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide (PubChem CID 118873471) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
PubChem CID118873471
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-6-8-17(9-7-16)28(25,26)24-20-11-10-18(15-4-2-12-22-14-15)19-5-3-13-23-21(19)20/h2-14,24H,1H3
InChIKeyOFJDVIZGNKANHZ-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 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide 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 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide (CID 118873471) is 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1.
What is the InChIKey of 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The InChIKey is OFJDVIZGNKANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-16-6-8-17(9-7-16)28(25,26)24-20-11-10-18(15-4-2-12-22-14-15)19-5-3-13-23-21(19)20/h2-14,24H,1H3.
What are the key properties of 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide 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 4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 118873471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).