N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide

C17H21F3N2O3S — CID 112788097

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3S/c1-2-9-22(13-16(23)21-10-4-3-5-11-21)26(24,25)15-8-6-7-14(12-15)17(18,19)20/h2,6-8,12H,1,3-5,9-11,13H2
InChIKeyHPQNSDJOXSXPJW-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.89
Rot. Bonds6

About N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide

N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 112788097) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID112788097
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3S/c1-2-9-22(13-16(23)21-10-4-3-5-11-21)26(24,25)15-8-6-7-14(12-15)17(18,19)20/h2,6-8,12H,1,3-5,9-11,13H2
InChIKeyHPQNSDJOXSXPJW-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 112759316
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 3999437
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 46519793
N-benzyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649751
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
CID 55605549
2-chloro-N-prop-2-enyl-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 43002720
N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 3370801
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
azepan-1-yl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 26500737
N-[(4-tert-butylphenyl)methyl]-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42697576

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide (CID 112788097) is N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide is C=CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HPQNSDJOXSXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-2-9-22(13-16(23)21-10-4-3-5-11-21)26(24,25)15-8-6-7-14(12-15)17(18,19)20/h2,6-8,12H,1,3-5,9-11,13H2.
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide?
N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 112788097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).