N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 2738507

IUPACN-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-5-12(6-4-11)21(19,20)17-7-10-18-8-1-2-9-18/h3-6,17H,1-2,7-10H2
InChIKeyYIUHYHCYLPULGA-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.08
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2738507) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2738507
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-5-12(6-4-11)21(19,20)17-7-10-18-8-1-2-9-18/h3-6,17H,1-2,7-10H2
InChIKeyYIUHYHCYLPULGA-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-1-ylethyl)-4-(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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 2738507) is N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YIUHYHCYLPULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-5-12(6-4-11)21(19,20)17-7-10-18-8-1-2-9-18/h3-6,17H,1-2,7-10H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2738507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).