bis(2,2,2-trifluoroethylsulfonylamino)mercury

C4H6F6HgN2O4S2 — CID 23262798

IUPACbis(2,2,2-trifluoroethylsulfonylamino)mercury
SMILESO=S(=O)(CC(F)(F)F)N[Hg]NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/2C2H3F3NO2S.Hg/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H-,6,7,8);/q2*-1;+2
InChIKeyPZNPSBSIOSKHPD-UHFFFAOYSA-N
MW524.81 g/mol
LogP-0.14
Rot. Bonds6

About bis(2,2,2-trifluoroethylsulfonylamino)mercury

bis(2,2,2-trifluoroethylsulfonylamino)mercury (PubChem CID 23262798) has the molecular formula C4H6F6HgN2O4S2 and a molecular weight of 524.81 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethylsulfonylamino)mercury.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethylsulfonylamino)mercury
PubChem CID23262798
Molecular FormulaC4H6F6HgN2O4S2
Molecular Weight524.81 g/mol
Exact Mass525.94
IUPAC Namebis(2,2,2-trifluoroethylsulfonylamino)mercury
SMILESO=S(=O)(CC(F)(F)F)N[Hg]NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/2C2H3F3NO2S.Hg/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H-,6,7,8);/q2*-1;+2
InChIKeyPZNPSBSIOSKHPD-UHFFFAOYSA-N
XLogP-0.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.81
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethylsulfonylamino)mercury?
The IUPAC name of bis(2,2,2-trifluoroethylsulfonylamino)mercury (CID 23262798) is bis(2,2,2-trifluoroethylsulfonylamino)mercury.
What is the SMILES notation for bis(2,2,2-trifluoroethylsulfonylamino)mercury?
The canonical SMILES for bis(2,2,2-trifluoroethylsulfonylamino)mercury is O=S(=O)(CC(F)(F)F)N[Hg]NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethylsulfonylamino)mercury?
The InChIKey is PZNPSBSIOSKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3F3NO2S.Hg/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H-,6,7,8);/q2*-1;+2.
What are the key properties of bis(2,2,2-trifluoroethylsulfonylamino)mercury?
bis(2,2,2-trifluoroethylsulfonylamino)mercury has a molecular weight of 524.81 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethylsulfonylamino)mercury is sourced from PubChem (CID 23262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).