N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide

C18H15F3N2O3S — CID 22238936

IUPACN,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C18H15F3N2O3S/c1-22-16-9-8-13(10-14(16)15(11-17(22)24)18(19,20)21)27(25,26)23(2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYYVDGLLYMQUCPK-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.38
Rot. Bonds3

About N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide

N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide (PubChem CID 22238936) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
PubChem CID22238936
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC NameN,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C18H15F3N2O3S/c1-22-16-9-8-13(10-14(16)15(11-17(22)24)18(19,20)21)27(25,26)23(2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYYVDGLLYMQUCPK-UHFFFAOYSA-N
XLogP3.38
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238825
6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 22055315
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 146567148
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
CID 110677114
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170588235
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
2-[2-(4-aminopyridin-1-ium-1-yl)ethyl]-N,1-dimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 25151978

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide?
The IUPAC name of N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide (CID 22238936) is N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide.
What is the SMILES notation for N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide?
The canonical SMILES for N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C.
What is the InChIKey of N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide?
The InChIKey is YYVDGLLYMQUCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-22-16-9-8-13(10-14(16)15(11-17(22)24)18(19,20)21)27(25,26)23(2)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide?
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide has a molecular weight of 396.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 22238936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).