14-bromotetradecane-1-sulfonic acid

C14H29BrO3S — CID 176903761

IUPAC14-bromotetradecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO3S/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(16,17)18/h1-14H2,(H,16,17,18)
InChIKeyOAYAFZIGJIOOJA-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.95
Rot. Bonds14

About 14-bromotetradecane-1-sulfonic acid

14-bromotetradecane-1-sulfonic acid (PubChem CID 176903761) has the molecular formula C14H29BrO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 14-bromotetradecane-1-sulfonic acid.

Molecular Properties

Compound Name14-bromotetradecane-1-sulfonic acid
PubChem CID176903761
Molecular FormulaC14H29BrO3S
Molecular Weight357.35 g/mol
Exact Mass356.10
IUPAC Name14-bromotetradecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO3S/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(16,17)18/h1-14H2,(H,16,17,18)
InChIKeyOAYAFZIGJIOOJA-UHFFFAOYSA-N
XLogP4.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-bromotetradecane-1-sulfonic acid 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

octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
butane-1,4-disulfonic acid;ethene
CID 173210763
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
10-bromodecane-1-sulfonate
CID 140608161
decane-1-sulfonic acid
CID 157391186
12-fluorododecane-1-sulfonic acid
CID 122480998
CID 88853027
CID 88853027

Frequently Asked Questions

What is the IUPAC name of 14-bromotetradecane-1-sulfonic acid?
The IUPAC name of 14-bromotetradecane-1-sulfonic acid (CID 176903761) is 14-bromotetradecane-1-sulfonic acid.
What is the SMILES notation for 14-bromotetradecane-1-sulfonic acid?
The canonical SMILES for 14-bromotetradecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCCCCBr.
What is the InChIKey of 14-bromotetradecane-1-sulfonic acid?
The InChIKey is OAYAFZIGJIOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO3S/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(16,17)18/h1-14H2,(H,16,17,18).
What are the key properties of 14-bromotetradecane-1-sulfonic acid?
14-bromotetradecane-1-sulfonic acid has a molecular weight of 357.35 g/mol, XLogP of 4.95, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromotetradecane-1-sulfonic acid is sourced from PubChem (CID 176903761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).