4,5-dichlorobenzene-1,3-disulfonyl chloride

C6H2Cl4O4S2 — CID 14195249

IUPAC4,5-dichlorobenzene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H2Cl4O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H
InChIKeyDELKNGSNILXDSN-UHFFFAOYSA-N
MW344.02 g/mol
LogP2.85
Rot. Bonds2

About 4,5-dichlorobenzene-1,3-disulfonyl chloride

4,5-dichlorobenzene-1,3-disulfonyl chloride (PubChem CID 14195249) has the molecular formula C6H2Cl4O4S2 and a molecular weight of 344.02 g/mol. Its IUPAC name is 4,5-dichlorobenzene-1,3-disulfonyl chloride.

Molecular Properties

Compound Name4,5-dichlorobenzene-1,3-disulfonyl chloride
PubChem CID14195249
Molecular FormulaC6H2Cl4O4S2
Molecular Weight344.02 g/mol
Exact Mass341.81
IUPAC Name4,5-dichlorobenzene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H2Cl4O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H
InChIKeyDELKNGSNILXDSN-UHFFFAOYSA-N
XLogP2.85
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.02
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichlorobenzene-1,3-disulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorobenzene-1,3-disulfonyl chloride?
The IUPAC name of 4,5-dichlorobenzene-1,3-disulfonyl chloride (CID 14195249) is 4,5-dichlorobenzene-1,3-disulfonyl chloride.
What is the SMILES notation for 4,5-dichlorobenzene-1,3-disulfonyl chloride?
The canonical SMILES for 4,5-dichlorobenzene-1,3-disulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 4,5-dichlorobenzene-1,3-disulfonyl chloride?
The InChIKey is DELKNGSNILXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H.
What are the key properties of 4,5-dichlorobenzene-1,3-disulfonyl chloride?
4,5-dichlorobenzene-1,3-disulfonyl chloride has a molecular weight of 344.02 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorobenzene-1,3-disulfonyl chloride is sourced from PubChem (CID 14195249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).