N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine

C23H20N2O2S — CID 7184909

IUPACN-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-17-11-13-19(14-12-17)28(26,27)22-16-24-21-10-6-5-9-20(21)23(22)25-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyQIBOKJCYIWWNQT-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.99
Rot. Bonds5

About N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine

N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine (PubChem CID 7184909) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine
PubChem CID7184909
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-17-11-13-19(14-12-17)28(26,27)22-16-24-21-10-6-5-9-20(21)23(22)25-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyQIBOKJCYIWWNQT-UHFFFAOYSA-N
XLogP4.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The IUPAC name of N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine (CID 7184909) is N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine.
What is the SMILES notation for N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The canonical SMILES for N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine is Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The InChIKey is QIBOKJCYIWWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-17-11-13-19(14-12-17)28(26,27)22-16-24-21-10-6-5-9-20(21)23(22)25-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,25).
What are the key properties of N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine?
N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine has a molecular weight of 388.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylphenyl)sulfonylquinolin-4-amine is sourced from PubChem (CID 7184909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).