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

C23H20N2O3S — CID 166443739

IUPACN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nc3ccccc3c2C)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-12-14-18(28-2)15-13-17)25-29(26,27)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25)
InChIKeyWDDNMJMJEBIPBT-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.02
Rot. Bonds5

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

N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide (PubChem CID 166443739) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
PubChem CID166443739
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nc3ccccc3c2C)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-12-14-18(28-2)15-13-17)25-29(26,27)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25)
InChIKeyWDDNMJMJEBIPBT-UHFFFAOYSA-N
XLogP5.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
CID 141482670
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide (CID 166443739) is N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide is COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nc3ccccc3c2C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide?
The InChIKey is WDDNMJMJEBIPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-12-14-18(28-2)15-13-17)25-29(26,27)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,25).
What are the key properties of N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide?
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 5.02, 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]benzenesulfonamide is sourced from PubChem (CID 166443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).