sodium;dodecane-1-sulfonic acid;hydride;hydrochloride

C12H28ClNaO3S — CID 175497473

IUPACsodium;dodecane-1-sulfonic acid;hydride;hydrochloride
SMILESCCCCCCCCCCCCS(=O)(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C12H26O3S.ClH.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);1H;;/q;;+1;-1
InChIKeyWSJOACGXLIWLGV-UHFFFAOYSA-N
MW310.86 g/mol
LogP1.33
Rot. Bonds11

About sodium;dodecane-1-sulfonic acid;hydride;hydrochloride

sodium;dodecane-1-sulfonic acid;hydride;hydrochloride (PubChem CID 175497473) has the molecular formula C12H28ClNaO3S and a molecular weight of 310.86 g/mol. Its IUPAC name is sodium;dodecane-1-sulfonic acid;hydride;hydrochloride.

Molecular Properties

Compound Namesodium;dodecane-1-sulfonic acid;hydride;hydrochloride
PubChem CID175497473
Molecular FormulaC12H28ClNaO3S
Molecular Weight310.86 g/mol
Exact Mass310.13
IUPAC Namesodium;dodecane-1-sulfonic acid;hydride;hydrochloride
SMILESCCCCCCCCCCCCS(=O)(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C12H26O3S.ClH.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);1H;;/q;;+1;-1
InChIKeyWSJOACGXLIWLGV-UHFFFAOYSA-N
XLogP1.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.86
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;dodecane-1-sulfonic acid;hydride;hydrochloride?
The IUPAC name of sodium;dodecane-1-sulfonic acid;hydride;hydrochloride (CID 175497473) is sodium;dodecane-1-sulfonic acid;hydride;hydrochloride.
What is the SMILES notation for sodium;dodecane-1-sulfonic acid;hydride;hydrochloride?
The canonical SMILES for sodium;dodecane-1-sulfonic acid;hydride;hydrochloride is CCCCCCCCCCCCS(=O)(=O)O.Cl.[H-].[Na+].
What is the InChIKey of sodium;dodecane-1-sulfonic acid;hydride;hydrochloride?
The InChIKey is WSJOACGXLIWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S.ClH.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);1H;;/q;;+1;-1.
What are the key properties of sodium;dodecane-1-sulfonic acid;hydride;hydrochloride?
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride has a molecular weight of 310.86 g/mol, XLogP of 1.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane-1-sulfonic acid;hydride;hydrochloride is sourced from PubChem (CID 175497473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).