N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C22H20F3N3O4S — CID 55784367

IUPACN-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-18-4-1-5-19(14-18)33(30,31)28-11-8-15(9-12-28)21(29)27-17-6-7-20-16(13-17)3-2-10-26-20/h1-7,10,13-15H,8-9,11-12H2,(H,27,29)
InChIKeyFVARSSHKLDUBQF-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.17
Rot. Bonds5

About N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55784367) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55784367
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC NameN-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-18-4-1-5-19(14-18)33(30,31)28-11-8-15(9-12-28)21(29)27-17-6-7-20-16(13-17)3-2-10-26-20/h1-7,10,13-15H,8-9,11-12H2,(H,27,29)
InChIKeyFVARSSHKLDUBQF-UHFFFAOYSA-N
XLogP4.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25332101
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55796204
(3R)-N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpyrrolidine-3-carboxamide
CID 162523062
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55908059
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
N-(2-butylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55674493
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55665837

Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 55784367) is N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc2ncccc2c1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is FVARSSHKLDUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c23-22(24,25)32-18-4-1-5-19(14-18)33(30,31)28-11-8-15(9-12-28)21(29)27-17-6-7-20-16(13-17)3-2-10-26-20/h1-7,10,13-15H,8-9,11-12H2,(H,27,29).
What are the key properties of N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55784367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).