N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide

C24H22N2O3S — CID 101455939

IUPACN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2C)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-8-14-20(15-9-16)30(27,28)26-24-23(18-10-12-19(29-3)13-11-18)17(2)21-6-4-5-7-22(21)25-24/h4-15H,1-3H3,(H,25,26)
InChIKeyPQILLYRFJGLTHM-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.33
Rot. Bonds5

About N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide

N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 101455939) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
PubChem CID101455939
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2C)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-8-14-20(15-9-16)30(27,28)26-24-23(18-10-12-19(29-3)13-11-18)17(2)21-6-4-5-7-22(21)25-24/h4-15H,1-3H3,(H,25,26)
InChIKeyPQILLYRFJGLTHM-UHFFFAOYSA-N
XLogP5.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
CID 166443739
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
CID 141482670
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide (CID 101455939) is N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide is COc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is PQILLYRFJGLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-8-14-20(15-9-16)30(27,28)26-24-23(18-10-12-19(29-3)13-11-18)17(2)21-6-4-5-7-22(21)25-24/h4-15H,1-3H3,(H,25,26).
What are the key properties of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide?
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101455939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).