2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide

C19H17F3N2O4S — CID 22238902

IUPAC2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
SMILESCC(C)Oc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C19H17F3N2O4S/c1-11(2)28-13-5-3-4-12(8-13)24-29(26,27)14-6-7-17-15(9-14)16(19(20,21)22)10-18(25)23-17/h3-11,24H,1-2H3,(H,23,25)
InChIKeyMXDSFJPEAHLUBV-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.13
Rot. Bonds5

About 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide

2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide (PubChem CID 22238902) has the molecular formula C19H17F3N2O4S and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
PubChem CID22238902
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC Name2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
SMILESCC(C)Oc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C19H17F3N2O4S/c1-11(2)28-13-5-3-4-12(8-13)24-29(26,27)14-6-7-17-15(9-14)16(19(20,21)22)10-18(25)23-17/h3-11,24H,1-2H3,(H,23,25)
InChIKeyMXDSFJPEAHLUBV-UHFFFAOYSA-N
XLogP4.13
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11203249
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
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
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238891
N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238869
1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
CID 21015297
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279219

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide (CID 22238902) is 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide is CC(C)Oc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1.
What is the InChIKey of 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The InChIKey is MXDSFJPEAHLUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4S/c1-11(2)28-13-5-3-4-12(8-13)24-29(26,27)14-6-7-17-15(9-14)16(19(20,21)22)10-18(25)23-17/h3-11,24H,1-2H3,(H,23,25).
What are the key properties of 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide has a molecular weight of 426.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22238902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).