8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide

C18H15F3N2O4S — CID 5186150

IUPAC8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C18H15F3N2O4S/c1-2-26-15-8-9-16(14-7-4-10-22-17(14)15)28(24,25)23-12-5-3-6-13(11-12)27-18(19,20)21/h3-11,23H,2H2,1H3
InChIKeyDQLVJMXOYYHXSQ-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.33
Rot. Bonds6

About 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide

8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide (PubChem CID 5186150) has the molecular formula C18H15F3N2O4S and a molecular weight of 412.39 g/mol. Its IUPAC name is 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
PubChem CID5186150
Molecular FormulaC18H15F3N2O4S
Molecular Weight412.39 g/mol
Exact Mass412.07
IUPAC Name8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C18H15F3N2O4S/c1-2-26-15-8-9-16(14-7-4-10-22-17(14)15)28(24,25)23-12-5-3-6-13(11-12)27-18(19,20)21/h3-11,23H,2H2,1H3
InChIKeyDQLVJMXOYYHXSQ-UHFFFAOYSA-N
XLogP4.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
2-ethoxy-4-nitro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169204758
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 169307922
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 25039412
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide?
The IUPAC name of 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide (CID 5186150) is 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc12.
What is the InChIKey of 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide?
The InChIKey is DQLVJMXOYYHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4S/c1-2-26-15-8-9-16(14-7-4-10-22-17(14)15)28(24,25)23-12-5-3-6-13(11-12)27-18(19,20)21/h3-11,23H,2H2,1H3.
What are the key properties of 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide?
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide has a molecular weight of 412.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide is sourced from PubChem (CID 5186150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).