N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide

C17H19F3N2O3S — CID 19388055

IUPACN-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCOc1cccc(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O3S/c18-17(19,20)15-6-1-2-7-16(15)26(23,24)22-10-8-13-4-3-5-14(12-13)25-11-9-21/h1-7,12,22H,8-11,21H2
InChIKeyKMIVCEZLTJLAGM-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.56
Rot. Bonds8

About N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 19388055) has the molecular formula C17H19F3N2O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID19388055
Molecular FormulaC17H19F3N2O3S
Molecular Weight388.41 g/mol
Exact Mass388.11
IUPAC NameN-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCOc1cccc(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O3S/c18-17(19,20)15-6-1-2-7-16(15)26(23,24)22-10-8-13-4-3-5-14(12-13)25-11-9-21/h1-7,12,22H,8-11,21H2
InChIKeyKMIVCEZLTJLAGM-UHFFFAOYSA-N
XLogP2.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(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-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 19388055) is N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide is NCCOc1cccc(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KMIVCEZLTJLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3S/c18-17(19,20)15-6-1-2-7-16(15)26(23,24)22-10-8-13-4-3-5-14(12-13)25-11-9-21/h1-7,12,22H,8-11,21H2.
What are the key properties of N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 388.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminoethoxy)phenyl]ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 19388055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).