1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide

C20H19F3N2O3S — CID 21015326

IUPAC1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)cc1
InChIInChI=1S/C20H19F3N2O3S/c1-12(2)13-4-6-14(7-5-13)24-29(27,28)15-8-9-18-16(10-15)17(20(21,22)23)11-19(26)25(18)3/h4-12,24H,1-3H3
InChIKeyQMSTZMXJQGMJJF-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.48
Rot. Bonds4

About 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide

1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide (PubChem CID 21015326) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
PubChem CID21015326
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)cc1
InChIInChI=1S/C20H19F3N2O3S/c1-12(2)13-4-6-14(7-5-13)24-29(27,28)15-8-9-18-16(10-15)17(20(21,22)23)11-19(26)25(18)3/h4-12,24H,1-3H3
InChIKeyQMSTZMXJQGMJJF-UHFFFAOYSA-N
XLogP4.48
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.48
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
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015304
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
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-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide (CID 21015326) is 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)cc1.
What is the InChIKey of 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide?
The InChIKey is QMSTZMXJQGMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-12(2)13-4-6-14(7-5-13)24-29(27,28)15-8-9-18-16(10-15)17(20(21,22)23)11-19(26)25(18)3/h4-12,24H,1-3H3.
What are the key properties of 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide?
1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide has a molecular weight of 424.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 21015326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).