N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

C32H28F12N4O8S4 — CID 139189977

IUPACN-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F.O=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/2C16H14F6N2O4S2/c2*17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h2*1-10,13-14,23-24H/t2*13-,14-/m11/s1
InChIKeyOJUHQQITIRQIDD-IWYXBRTKSA-N
MW952.84 g/mol
LogP6.69
Rot. Bonds14

About N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139189977) has the molecular formula C32H28F12N4O8S4 and a molecular weight of 952.84 g/mol. Its IUPAC name is N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139189977
Molecular FormulaC32H28F12N4O8S4
Molecular Weight952.84 g/mol
Exact Mass952.06
IUPAC NameN-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F.O=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/2C16H14F6N2O4S2/c2*17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h2*1-10,13-14,23-24H/t2*13-,14-/m11/s1
InChIKeyOJUHQQITIRQIDD-IWYXBRTKSA-N
XLogP6.69
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.84
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Related Compounds

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87738359
[(1R)-2-(sulfinoamino)-1-(trifluoromethylsulfonylamino)ethyl]benzene
CID 70951176
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
N-(1-bromo-2-oxo-2-phenylethyl)-1,1,1-trifluoromethanesulfonamide
CID 154221934
[2-phenyl-3-(trifluoromethylsulfonyloxy)propyl] trifluoromethanesulfonate
CID 166468774
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
[fluoro(phenyl)methyl] trifluoromethanesulfonate
CID 175221512
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethyl)sulfonylethyl]benzene
CID 87624100
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 139189977) is N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F.O=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OJUHQQITIRQIDD-IWYXBRTKSA-N. The full InChI is InChI=1S/2C16H14F6N2O4S2/c2*17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h2*1-10,13-14,23-24H/t2*13-,14-/m11/s1.
What are the key properties of N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 952.84 g/mol, XLogP of 6.69, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139189977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).