N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid

C19H19F3N2O5S — CID 56643198

IUPACN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18N2O3S.C2HF3O2/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16;3-2(4,5)1(6)7/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20);(H,6,7)
InChIKeyPICSRGQTGWHBRE-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.62
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 56643198) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID56643198
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC NameN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18N2O3S.C2HF3O2/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16;3-2(4,5)1(6)7/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20);(H,6,7)
InChIKeyPICSRGQTGWHBRE-UHFFFAOYSA-N
XLogP3.62
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27993658
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46966763
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864405

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid (CID 56643198) is N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is PICSRGQTGWHBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.C2HF3O2/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16;3-2(4,5)1(6)7/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20);(H,6,7).
What are the key properties of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid?
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56643198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).