1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

C24H19F3N2O3S — CID 21015304

IUPAC1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C24H19F3N2O3S/c1-15-8-9-17(16-6-4-3-5-7-16)12-21(15)28-33(31,32)18-10-11-22-19(13-18)20(24(25,26)27)14-23(30)29(22)2/h3-14,28H,1-2H3
InChIKeyTXKAQGBELBLKEN-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.33
Rot. Bonds4

About 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (PubChem CID 21015304) has the molecular formula C24H19F3N2O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
PubChem CID21015304
Molecular FormulaC24H19F3N2O3S
Molecular Weight472.49 g/mol
Exact Mass472.11
IUPAC Name1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C
InChIInChI=1S/C24H19F3N2O3S/c1-15-8-9-17(16-6-4-3-5-7-16)12-21(15)28-33(31,32)18-10-11-22-19(13-18)20(24(25,26)27)14-23(30)29(22)2/h3-14,28H,1-2H3
InChIKeyTXKAQGBELBLKEN-UHFFFAOYSA-N
XLogP5.33
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
CID 21015297
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015326
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
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
CID 177374477
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 146567148
4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000614
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (CID 21015304) is 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is Cc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C.
What is the InChIKey of 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The InChIKey is TXKAQGBELBLKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3S/c1-15-8-9-17(16-6-4-3-5-7-16)12-21(15)28-33(31,32)18-10-11-22-19(13-18)20(24(25,26)27)14-23(30)29(22)2/h3-14,28H,1-2H3.
What are the key properties of 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide has a molecular weight of 472.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 21015304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).