1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide

C4H6F6N2O4S2 — CID 58173847

IUPAC1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6N2O4S2/c5-3(6,7)17(13,14)11-1-2-12-18(15,16)4(8,9)10/h11-12H,1-2H2
InChIKeyLJTRVOLXPXPCQE-UHFFFAOYSA-N
MW324.22 g/mol
LogP-0.14
Rot. Bonds5

About 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide (PubChem CID 58173847) has the molecular formula C4H6F6N2O4S2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide
PubChem CID58173847
Molecular FormulaC4H6F6N2O4S2
Molecular Weight324.22 g/mol
Exact Mass323.97
IUPAC Name1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6N2O4S2/c5-3(6,7)17(13,14)11-1-2-12-18(15,16)4(8,9)10/h11-12H,1-2H2
InChIKeyLJTRVOLXPXPCQE-UHFFFAOYSA-N
XLogP-0.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-Ethylenediamino ditriflate
CID 129892502
2-Azanidylethylazanide;palladium;bis(trifluoromethanesulfonate)
CID 179010174
1,1,1-trifluoro-N-[3-(trifluoromethylsulfonylamino)propyl]methanesulfonamide
CID 11131552
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
CID 43603512
1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
CID 58173846
1-(Sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane
CID 89129498
N-(2-aminoethyl)-1,1,2,2,3,3-hexafluoro-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 89568089
Bis(trifluoromethylsulfonyl)azanide;propylazanium
CID 141091349
Bis(trifluoromethylsulfonyl)azanide;butylazanium
CID 141337356
Bis(trifluoromethylsulfonyl)azanide;ethylazanium
CID 141392551
N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 161346373
2-Aminoethylazanium;bis(trifluoromethylsulfonyl)azanide
CID 168084911

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide (CID 58173847) is 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide is O=S(=O)(NCCNS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide?
The InChIKey is LJTRVOLXPXPCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F6N2O4S2/c5-3(6,7)17(13,14)11-1-2-12-18(15,16)4(8,9)10/h11-12H,1-2H2.
What are the key properties of 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide has a molecular weight of 324.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(trifluoromethylsulfonylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 58173847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).