4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide

C17H16N2O2S — CID 739451

IUPAC4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-6-10-15(11-7-12)22(20,21)19-16-5-3-4-14-9-8-13(2)18-17(14)16/h3-11,19H,1-2H3
InChIKeyCEPRSZRFLSFYFO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide

4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 739451) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID739451
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-6-10-15(11-7-12)22(20,21)19-16-5-3-4-14-9-8-13(2)18-17(14)16/h3-11,19H,1-2H3
InChIKeyCEPRSZRFLSFYFO-UHFFFAOYSA-N
XLogP3.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-methylquinolin-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-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 739451) is 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)cc1.
What is the InChIKey of 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is CEPRSZRFLSFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-6-10-15(11-7-12)22(20,21)19-16-5-3-4-14-9-8-13(2)18-17(14)16/h3-11,19H,1-2H3.
What are the key properties of 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).