N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide

C11H15F3N2O2S — CID 28731578

IUPACN-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)16-7-6-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15-16H,6-8H2,1H3
InChIKeyNHEKOARCUMEYLC-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide

N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide (PubChem CID 28731578) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
PubChem CID28731578
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)16-7-6-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15-16H,6-8H2,1H3
InChIKeyNHEKOARCUMEYLC-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide 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-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide (CID 28731578) is N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The InChIKey is NHEKOARCUMEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-19(17,18)16-7-6-15-8-9-4-2-3-5-10(9)11(12,13)14/h2-5,15-16H,6-8H2,1H3.
What are the key properties of N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 28731578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).