N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide

C24H24F3N3O4S — CID 92696603

IUPACN-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O
InChIInChI=1S/C24H24F3N3O4S/c1-14-5-2-3-8-20(14)29-23(32)19-13-28-21-10-9-17(12-18(21)22(19)31)35(33,34)30-16-7-4-6-15(11-16)24(25,26)27/h4,6-7,9-14,20,30H,2-3,5,8H2,1H3,(H,28,31)(H,29,32)/t14-,20+/m0/s1
InChIKeyIVHDPUCURXTLBA-VBKZILBWSA-N
MW507.53 g/mol
LogP4.66
Rot. Bonds5

About N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide

N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide (PubChem CID 92696603) has the molecular formula C24H24F3N3O4S and a molecular weight of 507.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
PubChem CID92696603
Molecular FormulaC24H24F3N3O4S
Molecular Weight507.53 g/mol
Exact Mass507.14
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O
InChIInChI=1S/C24H24F3N3O4S/c1-14-5-2-3-8-20(14)29-23(32)19-13-28-21-10-9-17(12-18(21)22(19)31)35(33,34)30-16-7-4-6-15(11-16)24(25,26)27/h4,6-7,9-14,20,30H,2-3,5,8H2,1H3,(H,28,31)(H,29,32)/t14-,20+/m0/s1
InChIKeyIVHDPUCURXTLBA-VBKZILBWSA-N
XLogP4.66
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 92696602
N-(2-methylcyclohexyl)-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 20968565
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
CID 15990667
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
CID 124904503
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 15990593
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 15990889
1-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19652578
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide (CID 92696603) is N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide?
The InChIKey is IVHDPUCURXTLBA-VBKZILBWSA-N. The full InChI is InChI=1S/C24H24F3N3O4S/c1-14-5-2-3-8-20(14)29-23(32)19-13-28-21-10-9-17(12-18(21)22(19)31)35(33,34)30-16-7-4-6-15(11-16)24(25,26)27/h4,6-7,9-14,20,30H,2-3,5,8H2,1H3,(H,28,31)(H,29,32)/t14-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide?
N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide has a molecular weight of 507.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 92696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).