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

C16H14ClFN2O3S — CID 46925987

IUPACN-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Cl
InChIInChI=1S/C16H14ClFN2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21)
InChIKeyFGSXPFIJRVGTDM-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.47
Rot. Bonds3

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

N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 46925987) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID46925987
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Cl
InChIInChI=1S/C16H14ClFN2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21)
InChIKeyFGSXPFIJRVGTDM-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55896457
N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 55731159
6-chloro-N-(3,4-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44634854
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
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 46925987) is N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is FGSXPFIJRVGTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 368.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46925987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).