N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

C22H15F3N2O3S — CID 14127626

IUPACN-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)16-6-2-7-19(14-16)31(28,29)27-17-9-11-18(12-10-17)30-20-8-1-4-15-5-3-13-26-21(15)20/h1-14,27H
InChIKeyUECIFLVOIQHZRT-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.85
Rot. Bonds5

About N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14127626) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14127626
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC NameN-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)16-6-2-7-19(14-16)31(28,29)27-17-9-11-18(12-10-17)30-20-8-1-4-15-5-3-13-26-21(15)20/h1-14,27H
InChIKeyUECIFLVOIQHZRT-UHFFFAOYSA-N
XLogP5.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14127626) is N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UECIFLVOIQHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c23-22(24,25)16-6-2-7-19(14-16)31(28,29)27-17-9-11-18(12-10-17)30-20-8-1-4-15-5-3-13-26-21(15)20/h1-14,27H.
What are the key properties of N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 444.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14127626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).