3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

C20H21F3N2O3S — CID 55794713

IUPAC3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)18(15-8-3-1-4-9-15)24-19(26)16-10-7-11-17(14-16)29(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,24,26)
InChIKeyLZAICUVQUFKEJV-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.89
Rot. Bonds5

About 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (PubChem CID 55794713) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
PubChem CID55794713
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)18(15-8-3-1-4-9-15)24-19(26)16-10-7-11-17(14-16)29(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,24,26)
InChIKeyLZAICUVQUFKEJV-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (CID 55794713) is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is O=C(NC(c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The InChIKey is LZAICUVQUFKEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c21-20(22,23)18(15-8-3-1-4-9-15)24-19(26)16-10-7-11-17(14-16)29(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,24,26).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is sourced from PubChem (CID 55794713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).