azanide;chloropalladium(1+);trifluoromethanesulfonate

CH4ClF3N2O3PdS-2 — CID 134966712

IUPACazanide;chloropalladium(1+);trifluoromethanesulfonate
SMILESCl[Pd+].O=S(=O)([O-])C(F)(F)F.[NH2-].[NH2-]
InChIInChI=1S/CHF3O3S.ClH.2H2N.Pd/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);1H;2*1H2;/q;;2*-1;+2/p-2
InChIKeyXPCFLPIEQITGQN-UHFFFAOYSA-L
MW322.99 g/mol
LogP2.17
Rot. Bonds

About azanide;chloropalladium(1+);trifluoromethanesulfonate

azanide;chloropalladium(1+);trifluoromethanesulfonate (PubChem CID 134966712) has the molecular formula CH4ClF3N2O3PdS-2 and a molecular weight of 322.99 g/mol. Its IUPAC name is azanide;chloropalladium(1+);trifluoromethanesulfonate.

Molecular Properties

Compound Nameazanide;chloropalladium(1+);trifluoromethanesulfonate
PubChem CID134966712
Molecular FormulaCH4ClF3N2O3PdS-2
Molecular Weight322.99 g/mol
Exact Mass321.86
IUPAC Nameazanide;chloropalladium(1+);trifluoromethanesulfonate
SMILESCl[Pd+].O=S(=O)([O-])C(F)(F)F.[NH2-].[NH2-]
InChIInChI=1S/CHF3O3S.ClH.2H2N.Pd/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);1H;2*1H2;/q;;2*-1;+2/p-2
InChIKeyXPCFLPIEQITGQN-UHFFFAOYSA-L
XLogP2.17
TPSA124.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.99
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze azanide;chloropalladium(1+);trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664

Frequently Asked Questions

What is the IUPAC name of azanide;chloropalladium(1+);trifluoromethanesulfonate?
The IUPAC name of azanide;chloropalladium(1+);trifluoromethanesulfonate (CID 134966712) is azanide;chloropalladium(1+);trifluoromethanesulfonate.
What is the SMILES notation for azanide;chloropalladium(1+);trifluoromethanesulfonate?
The canonical SMILES for azanide;chloropalladium(1+);trifluoromethanesulfonate is Cl[Pd+].O=S(=O)([O-])C(F)(F)F.[NH2-].[NH2-].
What is the InChIKey of azanide;chloropalladium(1+);trifluoromethanesulfonate?
The InChIKey is XPCFLPIEQITGQN-UHFFFAOYSA-L. The full InChI is InChI=1S/CHF3O3S.ClH.2H2N.Pd/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);1H;2*1H2;/q;;2*-1;+2/p-2.
What are the key properties of azanide;chloropalladium(1+);trifluoromethanesulfonate?
azanide;chloropalladium(1+);trifluoromethanesulfonate has a molecular weight of 322.99 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;chloropalladium(1+);trifluoromethanesulfonate is sourced from PubChem (CID 134966712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).