1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H19F3N2O3S — CID 5132307

IUPAC1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-8-4-5-9-17(16)23-18(25)14-10-12-24(13-11-14)28(26,27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,25)
InChIKeyKWNVCARNZFLZSO-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.74
Rot. Bonds4

About 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 5132307) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID5132307
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-8-4-5-9-17(16)23-18(25)14-10-12-24(13-11-14)28(26,27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,25)
InChIKeyKWNVCARNZFLZSO-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
N-[4-(piperidin-1-ylsulfonyl)phenyl]cyclohexanecarboxamide
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N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
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(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
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CID 2812913

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 5132307) is 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KWNVCARNZFLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-8-4-5-9-17(16)23-18(25)14-10-12-24(13-11-14)28(26,27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 5132307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).