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

C23H17F3N2O3S — CID 14127674

IUPACN-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COc2cccc3cccnc23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-8-3-10-20(14-18)32(29,30)28-19-9-1-5-16(13-19)15-31-21-11-2-6-17-7-4-12-27-22(17)21/h1-14,28H,15H2
InChIKeyAYTASNNURLCLMX-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.63
Rot. Bonds6

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

N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14127674) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14127674
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COc2cccc3cccnc23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-8-3-10-20(14-18)32(29,30)28-19-9-1-5-16(13-19)15-31-21-11-2-6-17-7-4-12-27-22(17)21/h1-14,28H,15H2
InChIKeyAYTASNNURLCLMX-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

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Related Compounds

4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]cyclohexanesulfonamide;dihydrochloride
CID 137643918
8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
CID 1266532
8-Ethoxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 3241187
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
8-ethoxy-N-[(4-methoxyphenyl)methyl]quinoline-5-sulfonamide
CID 9551290

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 14127674) is N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(COc2cccc3cccnc23)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AYTASNNURLCLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c24-23(25,26)18-8-3-10-20(14-18)32(29,30)28-19-9-1-5-16(13-19)15-31-21-11-2-6-17-7-4-12-27-22(17)21/h1-14,28H,15H2.
What are the key properties of N-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-(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-[3-(quinolin-8-yloxymethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14127674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).