nonane-5-sulfonic acid

C9H20O3S — CID 22325204

IUPACnonane-5-sulfonic acid
SMILESCCCCC(CCCC)S(=O)(=O)O
InChIInChI=1S/C9H20O3S/c1-3-5-7-9(8-6-4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12)
InChIKeyARDSQJLUSITVJA-UHFFFAOYSA-N
MW208.32 g/mol
LogP2.62
Rot. Bonds7

About nonane-5-sulfonic acid

nonane-5-sulfonic acid (PubChem CID 22325204) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is nonane-5-sulfonic acid.

Molecular Properties

Compound Namenonane-5-sulfonic acid
PubChem CID22325204
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Namenonane-5-sulfonic acid
SMILESCCCCC(CCCC)S(=O)(=O)O
InChIInChI=1S/C9H20O3S/c1-3-5-7-9(8-6-4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12)
InChIKeyARDSQJLUSITVJA-UHFFFAOYSA-N
XLogP2.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecane-5-sulfonic acid
CID 87491021
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777
sodium;hexadecane-4,7-disulfonic acid;hydride
CID 174804373
1-(dibutylamino)heptane-4-sulfonic acid
CID 141360225
icosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529168
1-hydroperoxyheptadecane-8-sulfonic acid
CID 126707849
1-aminopentadecane-2-sulfonic acid
CID 19067551
1-hydroxypentane-1-sulfonic acid
CID 3016389

Frequently Asked Questions

What is the IUPAC name of nonane-5-sulfonic acid?
The IUPAC name of nonane-5-sulfonic acid (CID 22325204) is nonane-5-sulfonic acid.
What is the SMILES notation for nonane-5-sulfonic acid?
The canonical SMILES for nonane-5-sulfonic acid is CCCCC(CCCC)S(=O)(=O)O.
What is the InChIKey of nonane-5-sulfonic acid?
The InChIKey is ARDSQJLUSITVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-3-5-7-9(8-6-4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12).
What are the key properties of nonane-5-sulfonic acid?
nonane-5-sulfonic acid has a molecular weight of 208.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-5-sulfonic acid is sourced from PubChem (CID 22325204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).