CID 173133738

C4H4F8N2NaO4S2 — CID 173133738

IUPAC—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O.[Na]
InChIInChI=1S/C4H4F8N2O4S2.Na/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18;/h(H2,13,15,16)(H2,14,17,18);
InChIKeyOAFZSXHBSRRUAE-UHFFFAOYSA-N
MW383.19 g/mol
LogP-0.36
Rot. Bonds5

About CID 173133738

CID 173133738 (PubChem CID 173133738) has the molecular formula C4H4F8N2NaO4S2 and a molecular weight of 383.19 g/mol.

Molecular Properties

Compound NameCID 173133738
PubChem CID173133738
Molecular FormulaC4H4F8N2NaO4S2
Molecular Weight383.19 g/mol
Exact Mass382.94
IUPAC Name—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O.[Na]
InChIInChI=1S/C4H4F8N2O4S2.Na/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18;/h(H2,13,15,16)(H2,14,17,18);
InChIKeyOAFZSXHBSRRUAE-UHFFFAOYSA-N
XLogP-0.36
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 173133738 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

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
1,1,2,2,3,3-hexafluoro-3-sulfamoylpropane-1-sulfonic acid
CID 151994142
lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
CID 87784183
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 175057047
1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
CID 138683486
1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 162553244
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide;1-nitrosopropane
CID 174701815
azane;bis(trifluoromethanesulfonamide)
CID 171927833
CID 87103721
CID 87103721
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87784182
CID 87784182
1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
CID 87361345

Frequently Asked Questions

What is the IUPAC name of CID 173133738?
The IUPAC name of CID 173133738 (CID 173133738) is not available.
What is the SMILES notation for CID 173133738?
The canonical SMILES for CID 173133738 is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O.[Na].
What is the InChIKey of CID 173133738?
The InChIKey is OAFZSXHBSRRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F8N2O4S2.Na/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18;/h(H2,13,15,16)(H2,14,17,18);.
What are the key properties of CID 173133738?
CID 173133738 has a molecular weight of 383.19 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173133738 is sourced from PubChem (CID 173133738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).