3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H15F3N2O2S — CID 43506870

IUPAC3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-8(15-2)9-4-3-5-10(6-9)19(17,18)16-7-11(12,13)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyZGPAOBQCBNJLDW-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.81
Rot. Bonds5

About 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43506870) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43506870
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-8(15-2)9-4-3-5-10(6-9)19(17,18)16-7-11(12,13)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyZGPAOBQCBNJLDW-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)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 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43506870) is 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is ZGPAOBQCBNJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-8(15-2)9-4-3-5-10(6-9)19(17,18)16-7-11(12,13)14/h3-6,8,15-16H,7H2,1-2H3.
What are the key properties of 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43506870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).