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

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Related Compounds

naphthalene-1,3,5,7-tetrasulfonyl chloride
CID 12899707
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948
2,3,5-trichloro-4-methylbenzenesulfonyl chloride
CID 13491222
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 65371801
4-chloro-3-methylsulfonylbenzenesulfonyl chloride
CID 54596108
potassium (3,4-dichloro-5-sulfamoylphenyl)sulfonylazanide
CID 161295210
5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911
4-aminobenzene-1,3-disulfonyl chloride
CID 154087966
3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid
CID 13026920
3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 43097505
2-amino-4,5-dichlorobenzenesulfonyl chloride
CID 12637874
3-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130778089

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).