2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide

C5H8F6N2O4S2 — CID 23262839

IUPAC2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H8F6N2O4S2/c6-4(7,8)1-18(14,15)12-3-13-19(16,17)2-5(9,10)11/h12-13H,1-3H2
InChIKeyJQVDRLCSFVYWTE-UHFFFAOYSA-N
MW338.25 g/mol
LogP-0.09
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide

2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide (PubChem CID 23262839) has the molecular formula C5H8F6N2O4S2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide
PubChem CID23262839
Molecular FormulaC5H8F6N2O4S2
Molecular Weight338.25 g/mol
Exact Mass337.98
IUPAC Name2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H8F6N2O4S2/c6-4(7,8)1-18(14,15)12-3-13-19(16,17)2-5(9,10)11/h12-13H,1-3H2
InChIKeyJQVDRLCSFVYWTE-UHFFFAOYSA-N
XLogP-0.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide (CID 23262839) is 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide is O=S(=O)(CC(F)(F)F)NCNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide?
The InChIKey is JQVDRLCSFVYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F6N2O4S2/c6-4(7,8)1-18(14,15)12-3-13-19(16,17)2-5(9,10)11/h12-13H,1-3H2.
What are the key properties of 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide?
2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide has a molecular weight of 338.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide is sourced from PubChem (CID 23262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).