3,5-dibromonaphthalene-1-sulfonic acid

C10H6Br2O3S — CID 141427392

IUPAC3,5-dibromonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(Br)cc2c(Br)cccc12
InChIInChI=1S/C10H6Br2O3S/c11-6-4-8-7(2-1-3-9(8)12)10(5-6)16(13,14)15/h1-5H,(H,13,14,15)
InChIKeyCMKVUXAUXAALJF-UHFFFAOYSA-N
MW366.03 g/mol
LogP3.61
Rot. Bonds1

About 3,5-dibromonaphthalene-1-sulfonic acid

3,5-dibromonaphthalene-1-sulfonic acid (PubChem CID 141427392) has the molecular formula C10H6Br2O3S and a molecular weight of 366.03 g/mol. Its IUPAC name is 3,5-dibromonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3,5-dibromonaphthalene-1-sulfonic acid
PubChem CID141427392
Molecular FormulaC10H6Br2O3S
Molecular Weight366.03 g/mol
Exact Mass363.84
IUPAC Name3,5-dibromonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(Br)cc2c(Br)cccc12
InChIInChI=1S/C10H6Br2O3S/c11-6-4-8-7(2-1-3-9(8)12)10(5-6)16(13,14)15/h1-5H,(H,13,14,15)
InChIKeyCMKVUXAUXAALJF-UHFFFAOYSA-N
XLogP3.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromonaphthalene-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

naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
4-bromo-1-hydroxynaphthalene-2-sulfonic acid
CID 88757992
3-bromo-2-methoxybenzenesulfonic acid
CID 174958366
3-bromo-2-propan-2-yloxybenzenesulfonic acid
CID 174951694
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
3-bromonaphthalene-1-sulfonamide
CID 155937826
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173284943
3,5-dimethylnaphthalene-1-sulfonic acid
CID 54368357
azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
CID 174609443
5-sulfonaphthalene-1-sulfonate
CID 3517121

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromonaphthalene-1-sulfonic acid?
The IUPAC name of 3,5-dibromonaphthalene-1-sulfonic acid (CID 141427392) is 3,5-dibromonaphthalene-1-sulfonic acid.
What is the SMILES notation for 3,5-dibromonaphthalene-1-sulfonic acid?
The canonical SMILES for 3,5-dibromonaphthalene-1-sulfonic acid is O=S(=O)(O)c1cc(Br)cc2c(Br)cccc12.
What is the InChIKey of 3,5-dibromonaphthalene-1-sulfonic acid?
The InChIKey is CMKVUXAUXAALJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O3S/c11-6-4-8-7(2-1-3-9(8)12)10(5-6)16(13,14)15/h1-5H,(H,13,14,15).
What are the key properties of 3,5-dibromonaphthalene-1-sulfonic acid?
3,5-dibromonaphthalene-1-sulfonic acid has a molecular weight of 366.03 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromonaphthalene-1-sulfonic acid is sourced from PubChem (CID 141427392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).