N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C14H19F3N2O2S — CID 44759743

IUPACN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)12-5-4-6-13(11-12)22(20,21)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2
InChIKeyFAACPYNVLHDDTL-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.47
Rot. Bonds5

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

N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 44759743) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID44759743
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)12-5-4-6-13(11-12)22(20,21)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2
InChIKeyFAACPYNVLHDDTL-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 44759743) is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FAACPYNVLHDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)12-5-4-6-13(11-12)22(20,21)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 44759743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).