3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride

C12H6Cl4O3S — CID 61375214

IUPAC3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4O3S/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(6-10(11)15)20(16,17)18/h1-6H
InChIKeyITKRHMOMYQVEPT-UHFFFAOYSA-N
MW372.06 g/mol
LogP5.37
Rot. Bonds3

About 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride

3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride (PubChem CID 61375214) has the molecular formula C12H6Cl4O3S and a molecular weight of 372.06 g/mol. Its IUPAC name is 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
PubChem CID61375214
Molecular FormulaC12H6Cl4O3S
Molecular Weight372.06 g/mol
Exact Mass369.88
IUPAC Name3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4O3S/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(6-10(11)15)20(16,17)18/h1-6H
InChIKeyITKRHMOMYQVEPT-UHFFFAOYSA-N
XLogP5.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.06
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
CID 82717120
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
5-cyano-2-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 59548939
1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
CID 63533407
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride (CID 61375214) is 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
The InChIKey is ITKRHMOMYQVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O3S/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(6-10(11)15)20(16,17)18/h1-6H.
What are the key properties of 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride?
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride has a molecular weight of 372.06 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).