2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide

C17H17N3O3S — CID 16759911

IUPAC2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1
InChIInChI=1S/C17H17N3O3S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,18H2,1-2H3
InChIKeySGADTTGVWFMUEK-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide

2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide (PubChem CID 16759911) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide
PubChem CID16759911
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1
InChIInChI=1S/C17H17N3O3S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,18H2,1-2H3
InChIKeySGADTTGVWFMUEK-UHFFFAOYSA-N
XLogP2.93
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide 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 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide (CID 16759911) is 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1.
What is the InChIKey of 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is SGADTTGVWFMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,18H2,1-2H3.
What are the key properties of 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide?
2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 16759911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).