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

C21H17N3O2S — CID 118873465

IUPAC4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1
InChIInChI=1S/C21H17N3O2S/c1-15-6-8-17(9-7-15)27(25,26)24-20-11-10-18(16-4-2-12-22-14-16)19-5-3-13-23-21(19)20/h2-14,24H,1H3
InChIKeyVPWYYBNJVIFKDC-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.41
Rot. Bonds4

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

4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide (PubChem CID 118873465) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
PubChem CID118873465
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1
InChIInChI=1S/C21H17N3O2S/c1-15-6-8-17(9-7-15)27(25,26)24-20-11-10-18(16-4-2-12-22-14-16)19-5-3-13-23-21(19)20/h2-14,24H,1H3
InChIKeyVPWYYBNJVIFKDC-UHFFFAOYSA-N
XLogP4.41
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-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-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide (CID 118873465) is 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1.
What is the InChIKey of 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
The InChIKey is VPWYYBNJVIFKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-15-6-8-17(9-7-15)27(25,26)24-20-11-10-18(16-4-2-12-22-14-16)19-5-3-13-23-21(19)20/h2-14,24H,1H3.
What are the key properties of 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide?
4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 118873465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).