N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C21H20F3N5O3S — CID 112827671

IUPACN-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N5O3S/c22-21(23,24)16-4-3-5-17(14-16)33(31,32)28-11-8-15(9-12-28)20(30)26-18-6-1-2-7-19(18)29-13-10-25-27-29/h1-7,10,13-15H,8-9,11-12H2,(H,26,30)
InChIKeyFTQFPUPXEHNLAG-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 112827671) has the molecular formula C21H20F3N5O3S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID112827671
Molecular FormulaC21H20F3N5O3S
Molecular Weight479.48 g/mol
Exact Mass479.12
IUPAC NameN-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N5O3S/c22-21(23,24)16-4-3-5-17(14-16)33(31,32)28-11-8-15(9-12-28)20(30)26-18-6-1-2-7-19(18)29-13-10-25-27-29/h1-7,10,13-15H,8-9,11-12H2,(H,26,30)
InChIKeyFTQFPUPXEHNLAG-UHFFFAOYSA-N
XLogP3.33
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-(3-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625635
N-(3-piperidin-1-ylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 40042958
N-[(1-phenylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24249726
N-[(1-phenylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42033205
3-[[1-[4-(1-Aminopropyl)phenyl]triazol-4-yl]methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazin-2-one
CID 69006258
3-[[1-[4-(3-Aminopropyl)phenyl]triazol-4-yl]methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazin-2-one
CID 69006259
3-[[1-[4-(1-Aminoethyl)phenyl]triazol-4-yl]methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazin-2-one
CID 69008707
3-[[1-[4-(2-Aminoethyl)phenyl]triazol-4-yl]methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazin-2-one
CID 69008709
6-fluoro-3-[1-(4-piperazin-1-ylsulfonylphenyl)triazol-4-yl]-1H-quinolin-2-one
CID 130228657
N-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 16337583
2-(1-Phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 16614743
1-(benzenesulfonyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19338132

Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 112827671) is N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1-n1ccnn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is FTQFPUPXEHNLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3S/c22-21(23,24)16-4-3-5-17(14-16)33(31,32)28-11-8-15(9-12-28)20(30)26-18-6-1-2-7-19(18)29-13-10-25-27-29/h1-7,10,13-15H,8-9,11-12H2,(H,26,30).
What are the key properties of N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 112827671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).