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

C23H17F3N2O3S — CID 14127662

IUPACN-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)17-7-5-8-19(14-17)32(29,30)28-21-10-3-4-11-22(21)31-15-18-13-12-16-6-1-2-9-20(16)27-18/h1-14,28H,15H2
InChIKeyMJNYDXQGXFXLIX-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.63
Rot. Bonds6

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

N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14127662) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14127662
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)17-7-5-8-19(14-17)32(29,30)28-21-10-3-4-11-22(21)31-15-18-13-12-16-6-1-2-9-20(16)27-18/h1-14,28H,15H2
InChIKeyMJNYDXQGXFXLIX-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

Ritolukast
CID 60539
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphthalen-2-yl]-methanesulfonamide
CID 10455491
4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5298343
4-fluoro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 2228538
8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide
CID 4160427
N-{4-[4-(Quinolin-2-ylmethoxy)-phenoxy]-butyryl}-benzenesulfonamide
CID 14650342
N-(2-Ethoxyphenyl)-6-(piperidine-1-sulfonyl)quinolin-2-amine
CID 16024764
2-[4-[(6-Ethoxy-2-methylquinolin-4-yl)amino]phenyl]sulfonylguanidine
CID 44587239
2-Methyl-8-quinolyl 2,5-diethoxybenzenesulfonate
CID 2278568
N-(2,5-difluorophenyl)-8-ethoxyquinoline-5-sulfonamide
CID 4100909
N-(2-methoxyphenyl)quinoline-8-sulfonamide
CID 4153810

Frequently Asked Questions

What is the IUPAC name of N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 14127662) is N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1OCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MJNYDXQGXFXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c24-23(25,26)17-7-5-8-19(14-17)32(29,30)28-21-10-3-4-11-22(21)31-15-18-13-12-16-6-1-2-9-20(16)27-18/h1-14,28H,15H2.
What are the key properties of N-[2-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(quinolin-2-ylmethoxy)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-2-ylmethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14127662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).