N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

C17H16N2O3S — CID 16800466

IUPACN-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C17H16N2O3S/c1-12-9-17(20)19-16-8-7-14(10-15(12)16)23(21,22)18-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyWGIGVSRKIWDQDD-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.32
Rot. Bonds4

About N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 16800466) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID16800466
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C17H16N2O3S/c1-12-9-17(20)19-16-8-7-14(10-15(12)16)23(21,22)18-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyWGIGVSRKIWDQDD-UHFFFAOYSA-N
XLogP2.32
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide 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-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (CID 16800466) is N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide is Cc1cc(=O)[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc12.
What is the InChIKey of N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is WGIGVSRKIWDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-9-17(20)19-16-8-7-14(10-15(12)16)23(21,22)18-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 16800466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).