4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C18H18N2O3S — CID 110324590

IUPAC4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-4-7-16(8-5-12)24(22,23)19-11-15-10-14-6-3-13(2)9-17(14)20-18(15)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyGFVZBWRLCQKCAD-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 110324590) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID110324590
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-4-7-16(8-5-12)24(22,23)19-11-15-10-14-6-3-13(2)9-17(14)20-18(15)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyGFVZBWRLCQKCAD-UHFFFAOYSA-N
XLogP2.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
4-ethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324639
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 110325519
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110325883
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110414998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 110324590) is 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is GFVZBWRLCQKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-4-7-16(8-5-12)24(22,23)19-11-15-10-14-6-3-13(2)9-17(14)20-18(15)21/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110324590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).