silver pentadecane-1-sulfonate

C15H31AgO3S — CID 102573896

IUPACsilver pentadecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Ag+]
InChIInChI=1S/C15H32O3S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1
InChIKeyMKWOKABUFKNCBD-UHFFFAOYSA-M
MW399.35 g/mol
LogP4.62
Rot. Bonds14

About silver pentadecane-1-sulfonate

silver pentadecane-1-sulfonate (PubChem CID 102573896) has the molecular formula C15H31AgO3S and a molecular weight of 399.35 g/mol. Its IUPAC name is silver pentadecane-1-sulfonate.

Molecular Properties

Compound Namesilver pentadecane-1-sulfonate
PubChem CID102573896
Molecular FormulaC15H31AgO3S
Molecular Weight399.35 g/mol
Exact Mass398.10
IUPAC Namesilver pentadecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Ag+]
InChIInChI=1S/C15H32O3S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1
InChIKeyMKWOKABUFKNCBD-UHFFFAOYSA-M
XLogP4.62
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze silver pentadecane-1-sulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of silver pentadecane-1-sulfonate?
The IUPAC name of silver pentadecane-1-sulfonate (CID 102573896) is silver pentadecane-1-sulfonate.
What is the SMILES notation for silver pentadecane-1-sulfonate?
The canonical SMILES for silver pentadecane-1-sulfonate is CCCCCCCCCCCCCCCS(=O)(=O)[O-].[Ag+].
What is the InChIKey of silver pentadecane-1-sulfonate?
The InChIKey is MKWOKABUFKNCBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32O3S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1.
What are the key properties of silver pentadecane-1-sulfonate?
silver pentadecane-1-sulfonate has a molecular weight of 399.35 g/mol, XLogP of 4.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver pentadecane-1-sulfonate is sourced from PubChem (CID 102573896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).