pentadecane-2-sulfonic acid

C15H32O3S — CID 22415353

IUPACpentadecane-2-sulfonic acid
SMILESCCCCCCCCCCCCCC(C)S(=O)(=O)O
InChIInChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)19(16,17)18/h15H,3-14H2,1-2H3,(H,16,17,18)
InChIKeyXYIMERPABPQPDD-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.96
Rot. Bonds13

About pentadecane-2-sulfonic acid

pentadecane-2-sulfonic acid (PubChem CID 22415353) has the molecular formula C15H32O3S and a molecular weight of 292.49 g/mol. Its IUPAC name is pentadecane-2-sulfonic acid.

Molecular Properties

Compound Namepentadecane-2-sulfonic acid
PubChem CID22415353
Molecular FormulaC15H32O3S
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Namepentadecane-2-sulfonic acid
SMILESCCCCCCCCCCCCCC(C)S(=O)(=O)O
InChIInChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)19(16,17)18/h15H,3-14H2,1-2H3,(H,16,17,18)
InChIKeyXYIMERPABPQPDD-UHFFFAOYSA-N
XLogP4.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.96
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

dodecane-2-sulfonic acid
CID 18963549
tetradecane-2,13-disulfonic acid
CID 155491142
hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
CID 154274925
1-aminooctadecane-1-sulfonic acid
CID 87917836
13-aminotridecane-2-sulfonic acid
CID 142636781
2-methylsulfonyloctane
CID 121274607
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
pentacosan-13-amine;sulfuric acid
CID 135341364
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777

Frequently Asked Questions

What is the IUPAC name of pentadecane-2-sulfonic acid?
The IUPAC name of pentadecane-2-sulfonic acid (CID 22415353) is pentadecane-2-sulfonic acid.
What is the SMILES notation for pentadecane-2-sulfonic acid?
The canonical SMILES for pentadecane-2-sulfonic acid is CCCCCCCCCCCCCC(C)S(=O)(=O)O.
What is the InChIKey of pentadecane-2-sulfonic acid?
The InChIKey is XYIMERPABPQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)19(16,17)18/h15H,3-14H2,1-2H3,(H,16,17,18).
What are the key properties of pentadecane-2-sulfonic acid?
pentadecane-2-sulfonic acid has a molecular weight of 292.49 g/mol, XLogP of 4.96, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane-2-sulfonic acid is sourced from PubChem (CID 22415353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).