quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone

C22H19F3N2O4S — CID 53235176

IUPACquinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H19F3N2O4S/c23-22(24,25)31-16-6-8-17(9-7-16)32(29,30)18-11-13-27(14-12-18)21(28)20-10-5-15-3-1-2-4-19(15)26-20/h1-10,18H,11-14H2
InChIKeyBPCZMGUGWMJXFK-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.21
Rot. Bonds4

About quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone

quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone (PubChem CID 53235176) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
PubChem CID53235176
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Namequinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H19F3N2O4S/c23-22(24,25)31-16-6-8-17(9-7-16)32(29,30)18-11-13-27(14-12-18)21(28)20-10-5-15-3-1-2-4-19(15)26-20/h1-10,18H,11-14H2
InChIKeyBPCZMGUGWMJXFK-UHFFFAOYSA-N
XLogP4.21
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
2-[4-(quinoline-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852434
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
1,8-naphthyridin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone;hydrochloride
CID 24736092
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
[4-[4-[4-(methoxymethyl)phenyl]phenyl]sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 24731052
2,2,3,3,4,4,4-heptafluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591890
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The IUPAC name of quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone (CID 53235176) is quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The InChIKey is BPCZMGUGWMJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c23-22(24,25)31-16-6-8-17(9-7-16)32(29,30)18-11-13-27(14-12-18)21(28)20-10-5-15-3-1-2-4-19(15)26-20/h1-10,18H,11-14H2.
What are the key properties of quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone has a molecular weight of 464.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 53235176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).