N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C23H17F3N2O3S — CID 14127678

IUPACN-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-4-10-19(14-18)32(29,30)28-20-11-2-1-6-17(20)15-31-21-12-3-7-16-8-5-13-27-22(16)21/h1-14,28H,15H2
InChIKeyGFRGURDTDQHHBM-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.63
Rot. Bonds6

About N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14127678) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14127678
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-4-10-19(14-18)32(29,30)28-20-11-2-1-6-17(20)15-31-21-12-3-7-16-8-5-13-27-22(16)21/h1-14,28H,15H2
InChIKeyGFRGURDTDQHHBM-UHFFFAOYSA-N
XLogP5.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 14127678) is N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GFRGURDTDQHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-4-10-19(14-18)32(29,30)28-20-11-2-1-6-17(20)15-31-21-12-3-7-16-8-5-13-27-22(16)21/h1-14,28H,15H2.
What are the key properties of N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 458.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14127678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).