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

C16H14ClFN2O3S — CID 44634859

IUPACN-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl
InChIInChI=1S/C16H14ClFN2O3S/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)
InChIKeyHYOLJEHGMOJMNR-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.47
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 44634859) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID44634859
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl
InChIInChI=1S/C16H14ClFN2O3S/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)
InChIKeyHYOLJEHGMOJMNR-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 44634859) is N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is HYOLJEHGMOJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/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-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 44634859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).