N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

C16H19F3N2O3S — CID 41442277

IUPACN-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C16H19F3N2O3S/c1-2-9-20-25(23,24)14-7-5-12(6-8-14)15(22)21-10-3-4-13(11-21)16(17,18)19/h2,5-8,13,20H,1,3-4,9-11H2/t13-/m0/s1
InChIKeyYNPQLHUENJTTKQ-ZDUSSCGKSA-N
MW376.40 g/mol
LogP2.57
Rot. Bonds5

About N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 41442277) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID41442277
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C16H19F3N2O3S/c1-2-9-20-25(23,24)14-7-5-12(6-8-14)15(22)21-10-3-4-13(11-21)16(17,18)19/h2,5-8,13,20H,1,3-4,9-11H2/t13-/m0/s1
InChIKeyYNPQLHUENJTTKQ-ZDUSSCGKSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442273
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119398750
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542229
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918116
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 41442277) is N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1.
What is the InChIKey of N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is YNPQLHUENJTTKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-2-9-20-25(23,24)14-7-5-12(6-8-14)15(22)21-10-3-4-13(11-21)16(17,18)19/h2,5-8,13,20H,1,3-4,9-11H2/t13-/m0/s1.
What are the key properties of N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 376.40 g/mol, XLogP of 2.57, 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-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 41442277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).