1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C21H21F3N2O3S — CID 26087824

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3S/c22-21(23,24)18-7-4-8-19(15-18)25-20(27)17-9-12-26(13-10-17)30(28,29)14-11-16-5-2-1-3-6-16/h1-8,11,14-15,17H,9-10,12-13H2,(H,25,27)/b14-11+
InChIKeyYHVQMOZLIPGWLJ-SDNWHVSQSA-N
MW438.47 g/mol
LogP4.36
Rot. Bonds5

About 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 26087824) has the molecular formula C21H21F3N2O3S and a molecular weight of 438.47 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID26087824
Molecular FormulaC21H21F3N2O3S
Molecular Weight438.47 g/mol
Exact Mass438.12
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3S/c22-21(23,24)18-7-4-8-19(15-18)25-20(27)17-9-12-26(13-10-17)30(28,29)14-11-16-5-2-1-3-6-16/h1-8,11,14-15,17H,9-10,12-13H2,(H,25,27)/b14-11+
InChIKeyYHVQMOZLIPGWLJ-SDNWHVSQSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
1-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 19062300
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 1303925
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 26087824) is 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YHVQMOZLIPGWLJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H21F3N2O3S/c22-21(23,24)18-7-4-8-19(15-18)25-20(27)17-9-12-26(13-10-17)30(28,29)14-11-16-5-2-1-3-6-16/h1-8,11,14-15,17H,9-10,12-13H2,(H,25,27)/b14-11+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26087824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).