N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

C20H19F3N2O3S — CID 22238825

IUPACN-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C20H19F3N2O3S/c1-3-25(13-14-7-5-4-6-8-14)29(27,28)15-9-10-18-16(11-15)17(20(21,22)23)12-19(26)24(18)2/h4-12H,3,13H2,1-2H3
InChIKeyCQZCYKXSELPQIA-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.77
Rot. Bonds5

About N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (PubChem CID 22238825) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
PubChem CID22238825
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC NameN-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C20H19F3N2O3S/c1-3-25(13-14-7-5-4-6-8-14)29(27,28)15-9-10-18-16(11-15)17(20(21,22)23)12-19(26)24(18)2/h4-12H,3,13H2,1-2H3
InChIKeyCQZCYKXSELPQIA-UHFFFAOYSA-N
XLogP3.77
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015304
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
CID 21015297
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 146567148
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one
CID 142925669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (CID 22238825) is N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C.
What is the InChIKey of N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The InChIKey is CQZCYKXSELPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-3-25(13-14-7-5-4-6-8-14)29(27,28)15-9-10-18-16(11-15)17(20(21,22)23)12-19(26)24(18)2/h4-12H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide has a molecular weight of 424.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 22238825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).