N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide

C23H20F6N2O2S — CID 59537598

IUPACN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H20F6N2O2S/c24-22(25,26)18-11-15(12-19(13-18)23(27,28)29)14-34(32,33)31-21(17-9-5-2-6-10-17)20(30)16-7-3-1-4-8-16/h1-13,20-21,31H,14,30H2
InChIKeyWKUVRCZAJZUIMZ-UHFFFAOYSA-N
MW502.48 g/mol
LogP5.58
Rot. Bonds7

About N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 59537598) has the molecular formula C23H20F6N2O2S and a molecular weight of 502.48 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID59537598
Molecular FormulaC23H20F6N2O2S
Molecular Weight502.48 g/mol
Exact Mass502.11
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H20F6N2O2S/c24-22(25,26)18-11-15(12-19(13-18)23(27,28)29)14-34(32,33)31-21(17-9-5-2-6-10-17)20(30)16-7-3-1-4-8-16/h1-13,20-21,31H,14,30H2
InChIKeyWKUVRCZAJZUIMZ-UHFFFAOYSA-N
XLogP5.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
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-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87738359
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
CID 102080788
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
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-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide (CID 59537598) is N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is WKUVRCZAJZUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O2S/c24-22(25,26)18-11-15(12-19(13-18)23(27,28)29)14-34(32,33)31-21(17-9-5-2-6-10-17)20(30)16-7-3-1-4-8-16/h1-13,20-21,31H,14,30H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 502.48 g/mol, XLogP of 5.58, 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-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).