1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide

C18H12F6N2O3S — CID 21015297

IUPAC1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C18H12F6N2O3S/c1-26-15-6-5-12(8-13(15)14(9-16(26)27)18(22,23)24)30(28,29)25-11-4-2-3-10(7-11)17(19,20)21/h2-9,25H,1H3
InChIKeyGTNPFDRUYAZPFN-UHFFFAOYSA-N
MW450.36 g/mol
LogP4.38
Rot. Bonds3

About 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide

1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide (PubChem CID 21015297) has the molecular formula C18H12F6N2O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
PubChem CID21015297
Molecular FormulaC18H12F6N2O3S
Molecular Weight450.36 g/mol
Exact Mass450.05
IUPAC Name1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C18H12F6N2O3S/c1-26-15-6-5-12(8-13(15)14(9-16(26)27)18(22,23)24)30(28,29)25-11-4-2-3-10(7-11)17(19,20)21/h2-9,25H,1H3
InChIKeyGTNPFDRUYAZPFN-UHFFFAOYSA-N
XLogP4.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015326
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015304
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 22055315
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
CID 166206509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide (CID 21015297) is 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide is Cn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide?
The InChIKey is GTNPFDRUYAZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O3S/c1-26-15-6-5-12(8-13(15)14(9-16(26)27)18(22,23)24)30(28,29)25-11-4-2-3-10(7-11)17(19,20)21/h2-9,25H,1H3.
What are the key properties of 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide?
1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide has a molecular weight of 450.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide is sourced from PubChem (CID 21015297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).