N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H16N2O3S — CID 7066682

IUPACN-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C16H16N2O3S/c1-11-3-2-4-13(9-11)18-22(20,21)14-6-7-15-12(10-14)5-8-16(19)17-15/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,17,19)
InChIKeyFVLSXGNSQKPXJN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.68
Rot. Bonds3

About N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 7066682) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID7066682
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C16H16N2O3S/c1-11-3-2-4-13(9-11)18-22(20,21)14-6-7-15-12(10-14)5-8-16(19)17-15/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,17,19)
InChIKeyFVLSXGNSQKPXJN-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-2-oxo-3,4-dihydro-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-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 7066682) is N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is FVLSXGNSQKPXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-3-2-4-13(9-11)18-22(20,21)14-6-7-15-12(10-14)5-8-16(19)17-15/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,17,19).
What are the key properties of N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 7066682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).