N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C16H19F3N2O3S — CID 8007764

IUPACN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-9-20-15(22)12-7-10-21(11-8-12)25(23,24)14-6-4-3-5-13(14)16(17,18)19/h2-6,12H,1,7-11H2,(H,20,22)
InChIKeyNFJKCFBOCYPSFS-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.41
Rot. Bonds5

About N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 8007764) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID8007764
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-9-20-15(22)12-7-10-21(11-8-12)25(23,24)14-6-4-3-5-13(14)16(17,18)19/h2-6,12H,1,7-11H2,(H,20,22)
InChIKeyNFJKCFBOCYPSFS-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 8007764) is N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NFJKCFBOCYPSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-2-9-20-15(22)12-7-10-21(11-8-12)25(23,24)14-6-4-3-5-13(14)16(17,18)19/h2-6,12H,1,7-11H2,(H,20,22).
What are the key properties of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8007764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).