N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H14BrFN2O3S — CID 55896457

IUPACN-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Br
InChIInChI=1S/C16H14BrFN2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-6-10-3-5-16(21)19-14(10)8-13(15)18/h2,4,6-8,20H,3,5H2,1H3,(H,19,21)
InChIKeyMCNMYQVRLXGNRV-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.58
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55896457) has the molecular formula C16H14BrFN2O3S and a molecular weight of 413.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID55896457
Molecular FormulaC16H14BrFN2O3S
Molecular Weight413.27 g/mol
Exact Mass411.99
IUPAC NameN-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Br
InChIInChI=1S/C16H14BrFN2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-6-10-3-5-16(21)19-14(10)8-13(15)18/h2,4,6-8,20H,3,5H2,1H3,(H,19,21)
InChIKeyMCNMYQVRLXGNRV-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-4-methylphenyl)-7-fluoro-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

Related Compounds

N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 55731159
7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55895424
7-fluoro-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55731030
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146143545
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44634854
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55896457) is N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is MCNMYQVRLXGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-6-10-3-5-16(21)19-14(10)8-13(15)18/h2,4,6-8,20H,3,5H2,1H3,(H,19,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 413.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55896457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).