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

C16H15FN2O3S — CID 3656145

IUPACN-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F
InChIInChI=1S/C16H15FN2O3S/c1-10-2-4-12(9-14(10)17)19-23(21,22)13-5-6-15-11(8-13)3-7-16(20)18-15/h2,4-6,8-9,19H,3,7H2,1H3,(H,18,20)
InChIKeyYBQWWIYDCVJQAW-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.82
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3656145) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3656145
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F
InChIInChI=1S/C16H15FN2O3S/c1-10-2-4-12(9-14(10)17)19-23(21,22)13-5-6-15-11(8-13)3-7-16(20)18-15/h2,4-6,8-9,19H,3,7H2,1H3,(H,18,20)
InChIKeyYBQWWIYDCVJQAW-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-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-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3656145) is N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is YBQWWIYDCVJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-10-2-4-12(9-14(10)17)19-23(21,22)13-5-6-15-11(8-13)3-7-16(20)18-15/h2,4-6,8-9,19H,3,7H2,1H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3656145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).