N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C22H21F3N2O2S — CID 59537440

IUPACN-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)19-13-7-8-16(14-19)15-30(28,29)27-21(18-11-5-2-6-12-18)20(26)17-9-3-1-4-10-17/h1-14,20-21,27H,15,26H2
InChIKeyCKRKHIYFDRMOLU-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.57
Rot. Bonds7

About N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 59537440) has the molecular formula C22H21F3N2O2S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID59537440
Molecular FormulaC22H21F3N2O2S
Molecular Weight434.48 g/mol
Exact Mass434.13
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)19-13-7-8-16(14-19)15-30(28,29)27-21(18-11-5-2-6-12-18)20(26)17-9-3-1-4-10-17/h1-14,20-21,27H,15,26H2
InChIKeyCKRKHIYFDRMOLU-UHFFFAOYSA-N
XLogP4.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120585032
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87738359
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 59537440) is N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is CKRKHIYFDRMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2S/c23-22(24,25)19-13-7-8-16(14-19)15-30(28,29)27-21(18-11-5-2-6-12-18)20(26)17-9-3-1-4-10-17/h1-14,20-21,27H,15,26H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 434.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59537440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).