3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt

C6H4Cl2NaO4S — CID 87271498

IUPAC—
SMILESO=S(=O)(O)c1cc(Cl)cc(Cl)c1O.[Na]
InChIInChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);
InChIKeyVCILYNOSKHDKEM-UHFFFAOYSA-N
MW266.06 g/mol
LogP1.56
Rot. Bonds1

About 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt

3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt (PubChem CID 87271498) has the molecular formula C6H4Cl2NaO4S and a molecular weight of 266.06 g/mol.

Molecular Properties

Compound Name3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
PubChem CID87271498
Molecular FormulaC6H4Cl2NaO4S
Molecular Weight266.06 g/mol
Exact Mass264.91
IUPAC Name—
SMILESO=S(=O)(O)c1cc(Cl)cc(Cl)c1O.[Na]
InChIInChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);
InChIKeyVCILYNOSKHDKEM-UHFFFAOYSA-N
XLogP1.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt 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

barium(2+);bis(3,5-dichloro-2-hydroxybenzenesulfonate)
CID 139842253
3,5-dichloro-2-[(2,4-dichloro-6-sulfophenyl)methyl]benzenesulfonic acid
CID 123208579
CID 87064436
CID 87064436
4-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]-2-chlorobenzenesulfonic acid
CID 54386110
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
CID 172733861
CID 172733861
3-bromo-2,5-dichloro-4-hydroxybenzenesulfonic acid
CID 141308548
2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol
CID 159246724
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
CID 173322328
CID 173322328
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713

Frequently Asked Questions

What is the IUPAC name of 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt?
The IUPAC name of 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt (CID 87271498) is not available.
What is the SMILES notation for 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt?
The canonical SMILES for 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt is O=S(=O)(O)c1cc(Cl)cc(Cl)c1O.[Na].
What is the InChIKey of 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt?
The InChIKey is VCILYNOSKHDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);.
What are the key properties of 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt?
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt has a molecular weight of 266.06 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt is sourced from PubChem (CID 87271498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).