6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

C21H19F3N2O4S — CID 5179374

IUPAC6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1
InChIInChI=1S/C21H19F3N2O4S/c1-3-26(4-2)31(29,30)13-9-10-18-15(11-13)16(20(27)28)12-19(25-18)14-7-5-6-8-17(14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,27,28)
InChIKeyGSOLLQMDDZGZEY-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.65
Rot. Bonds6

About 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 5179374) has the molecular formula C21H19F3N2O4S and a molecular weight of 452.45 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID5179374
Molecular FormulaC21H19F3N2O4S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Name6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1
InChIInChI=1S/C21H19F3N2O4S/c1-3-26(4-2)31(29,30)13-9-10-18-15(11-13)16(20(27)28)12-19(25-18)14-7-5-6-8-17(14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,27,28)
InChIKeyGSOLLQMDDZGZEY-UHFFFAOYSA-N
XLogP4.65
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
CID 3333930
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3588833
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 5179374) is 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is GSOLLQMDDZGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4S/c1-3-26(4-2)31(29,30)13-9-10-18-15(11-13)16(20(27)28)12-19(25-18)14-7-5-6-8-17(14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,27,28).
What are the key properties of 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 452.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 5179374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).