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

C18H18N2O3S — CID 665999

IUPACN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-2-20(24(22,23)16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)19-18(15)21/h3-12H,2,13H2,1H3,(H,19,21)
InChIKeyCXJYYPNJIGUZTG-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.74
Rot. Bonds5

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

N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 665999) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID665999
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-2-20(24(22,23)16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)19-18(15)21/h3-12H,2,13H2,1H3,(H,19,21)
InChIKeyCXJYYPNJIGUZTG-UHFFFAOYSA-N
XLogP2.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]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 N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 665999) is N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is CCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is CXJYYPNJIGUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-20(24(22,23)16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)19-18(15)21/h3-12H,2,13H2,1H3,(H,19,21).
What are the key properties of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 665999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).