N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium

C21H21F3N2O2RuS — CID 87738359

IUPACN-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
SMILESN[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)C(F)(F)F)c1ccccc1.[Ru].c1ccccc1
InChIInChI=1S/C15H15F3N2O2S.C6H6.Ru/c16-15(17,18)23(21,22)20-14(12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11;1-2-4-6-5-3-1;/h1-10,13-14,20H,19H2;1-6H;/t13-,14-;;/m0../s1
InChIKeyMUMWDANDEWIRPO-AXEKQOJOSA-N
MW523.54 g/mol
LogP4.55
Rot. Bonds5

About N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium (PubChem CID 87738359) has the molecular formula C21H21F3N2O2RuS and a molecular weight of 523.54 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
PubChem CID87738359
Molecular FormulaC21H21F3N2O2RuS
Molecular Weight523.54 g/mol
Exact Mass524.03
IUPAC NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
SMILESN[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)C(F)(F)F)c1ccccc1.[Ru].c1ccccc1
InChIInChI=1S/C15H15F3N2O2S.C6H6.Ru/c16-15(17,18)23(21,22)20-14(12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11;1-2-4-6-5-3-1;/h1-10,13-14,20H,19H2;1-6H;/t13-,14-;;/m0../s1
InChIKeyMUMWDANDEWIRPO-AXEKQOJOSA-N
XLogP4.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium with MolForge

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Related Compounds

N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 139189977
4-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonic acid
CID 58915462
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
CID 89035973
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide;1,2,3,4,5-pentamethylbenzene;ruthenium
CID 87738721
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-1-(4-methylphenyl)-1-oxomethanesulfonamide
CID 87616678
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium (CID 87738359) is N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium.
What is the SMILES notation for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The canonical SMILES for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium is N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)C(F)(F)F)c1ccccc1.[Ru].c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The InChIKey is MUMWDANDEWIRPO-AXEKQOJOSA-N. The full InChI is InChI=1S/C15H15F3N2O2S.C6H6.Ru/c16-15(17,18)23(21,22)20-14(12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11;1-2-4-6-5-3-1;/h1-10,13-14,20H,19H2;1-6H;/t13-,14-;;/m0../s1.
What are the key properties of N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium has a molecular weight of 523.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium is sourced from PubChem (CID 87738359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).