lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide

C3H3F6LiN2O4S2 — CID 87784183

IUPAClithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
SMILES[Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C3H3F6N2O4S2.Li/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15;/h(H3-,10,11,12,13,14,15);/q-1;+1
InChIKeySFNQVJLHKBORPR-UHFFFAOYSA-N
MW316.13 g/mol
LogP-2.52
Rot. Bonds4

About lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide

lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide (PubChem CID 87784183) has the molecular formula C3H3F6LiN2O4S2 and a molecular weight of 316.13 g/mol. Its IUPAC name is lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide.

Molecular Properties

Compound Namelithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
PubChem CID87784183
Molecular FormulaC3H3F6LiN2O4S2
Molecular Weight316.13 g/mol
Exact Mass315.96
IUPAC Namelithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
SMILES[Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C3H3F6N2O4S2.Li/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15;/h(H3-,10,11,12,13,14,15);/q-1;+1
InChIKeySFNQVJLHKBORPR-UHFFFAOYSA-N
XLogP-2.52
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide 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

CID 173133738
CID 173133738
1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
CID 154269472
1,1,2,2,3,3-hexafluoro-3-sulfamoylpropane-1-sulfonic acid
CID 151994142
potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
CID 141294936
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
CID 138683486
trifluoromethylsulfonylazanide
CID 18339154
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 175057047
1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 162553244
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721

Frequently Asked Questions

What is the IUPAC name of lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide?
The IUPAC name of lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide (CID 87784183) is lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide.
What is the SMILES notation for lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide?
The canonical SMILES for lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide is [Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O.
What is the InChIKey of lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide?
The InChIKey is SFNQVJLHKBORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6N2O4S2.Li/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15;/h(H3-,10,11,12,13,14,15);/q-1;+1.
What are the key properties of lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide?
lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide has a molecular weight of 316.13 g/mol, XLogP of -2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide is sourced from PubChem (CID 87784183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).