N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

C24H19F3N2O3S2 — CID 11318086

IUPACN-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(Cc3ccc4[nH]c(=O)cc(C(F)(F)F)c4c3)cc2)c1
InChIInChI=1S/C24H19F3N2O3S2/c1-33-18-4-2-3-17(13-18)29-34(31,32)19-8-5-15(6-9-19)11-16-7-10-22-20(12-16)21(24(25,26)27)14-23(30)28-22/h2-10,12-14,29H,11H2,1H3,(H,28,30)
InChIKeyOKCFHEZEUARCRX-UHFFFAOYSA-N
MW504.56 g/mol
LogP5.66
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (PubChem CID 11318086) has the molecular formula C24H19F3N2O3S2 and a molecular weight of 504.56 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
PubChem CID11318086
Molecular FormulaC24H19F3N2O3S2
Molecular Weight504.56 g/mol
Exact Mass504.08
IUPAC NameN-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(Cc3ccc4[nH]c(=O)cc(C(F)(F)F)c4c3)cc2)c1
InChIInChI=1S/C24H19F3N2O3S2/c1-33-18-4-2-3-17(13-18)29-34(31,32)19-8-5-15(6-9-19)11-16-7-10-22-20(12-16)21(24(25,26)27)14-23(30)28-22/h2-10,12-14,29H,11H2,1H3,(H,28,30)
InChIKeyOKCFHEZEUARCRX-UHFFFAOYSA-N
XLogP5.66
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11203249
N-(4-chlorophenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11397762
N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11477520
4-[[4-(1,1-difluoropropyl)-2-oxo-1H-quinolin-6-yl]methyl]-N-(4-hydroxyphenyl)benzenesulfonamide
CID 142967295
2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238902
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]-N-[(1S,2R)-2-phenylmethoxycyclohexyl]benzenesulfonamide
CID 58682842
N-[3-(1-hydroxyethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11397974
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate
CID 21028283

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (CID 11318086) is N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is CSc1cccc(NS(=O)(=O)c2ccc(Cc3ccc4[nH]c(=O)cc(C(F)(F)F)c4c3)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The InChIKey is OKCFHEZEUARCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3S2/c1-33-18-4-2-3-17(13-18)29-34(31,32)19-8-5-15(6-9-19)11-16-7-10-22-20(12-16)21(24(25,26)27)14-23(30)28-22/h2-10,12-14,29H,11H2,1H3,(H,28,30).
What are the key properties of N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide has a molecular weight of 504.56 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 11318086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).