N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide

C20H18F3N3O3S — CID 78889434

IUPACN-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c21-20(22,23)18-15-8-4-5-9-17(15)25-13-16(18)19(27)24-10-11-30(28,29)26-12-14-6-2-1-3-7-14/h1-9,13,26H,10-12H2,(H,24,27)
InChIKeyGNOBDBHFOMMLPD-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide

N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 78889434) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID78889434
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c21-20(22,23)18-15-8-4-5-9-17(15)25-13-16(18)19(27)24-10-11-30(28,29)26-12-14-6-2-1-3-7-14/h1-9,13,26H,10-12H2,(H,24,27)
InChIKeyGNOBDBHFOMMLPD-UHFFFAOYSA-N
XLogP3.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide 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

N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889390
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78885440
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78844705
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10406940

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide (CID 78889434) is N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1cnc2ccccc2c1C(F)(F)F.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is GNOBDBHFOMMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c21-20(22,23)18-15-8-4-5-9-17(15)25-13-16(18)19(27)24-10-11-30(28,29)26-12-14-6-2-1-3-7-14/h1-9,13,26H,10-12H2,(H,24,27).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 78889434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).