1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide

C19H18F5N3O4S — CID 46467269

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F5N3O4S/c20-13-1-3-15(21)16(9-13)32(29,30)27-7-5-12(6-8-27)18(28)26-14-2-4-17(25-10-14)31-11-19(22,23)24/h1-4,9-10,12H,5-8,11H2,(H,26,28)
InChIKeyWZGNWFWNLZJFDF-UHFFFAOYSA-N
MW479.43 g/mol
LogP3.34
Rot. Bonds6

About 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 46467269) has the molecular formula C19H18F5N3O4S and a molecular weight of 479.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID46467269
Molecular FormulaC19H18F5N3O4S
Molecular Weight479.43 g/mol
Exact Mass479.09
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F5N3O4S/c20-13-1-3-15(21)16(9-13)32(29,30)27-7-5-12(6-8-27)18(28)26-14-2-4-17(25-10-14)31-11-19(22,23)24/h1-4,9-10,12H,5-8,11H2,(H,26,28)
InChIKeyWZGNWFWNLZJFDF-UHFFFAOYSA-N
XLogP3.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
CID 55514825
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55780290
1-(2,5-difluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 55407382
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide (CID 46467269) is 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is WZGNWFWNLZJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O4S/c20-13-1-3-15(21)16(9-13)32(29,30)27-7-5-12(6-8-27)18(28)26-14-2-4-17(25-10-14)31-11-19(22,23)24/h1-4,9-10,12H,5-8,11H2,(H,26,28).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 479.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46467269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).