4-(3,4-dichlorophenoxy)benzenesulfonyl chloride

C12H7Cl3O3S — CID 3694483

IUPAC4-(3,4-dichlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C12H7Cl3O3S/c13-11-6-3-9(7-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H
InChIKeyWSEZTLINFKIBOX-UHFFFAOYSA-N
MW337.61 g/mol
LogP4.71
Rot. Bonds3

About 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride

4-(3,4-dichlorophenoxy)benzenesulfonyl chloride (PubChem CID 3694483) has the molecular formula C12H7Cl3O3S and a molecular weight of 337.61 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)benzenesulfonyl chloride
PubChem CID3694483
Molecular FormulaC12H7Cl3O3S
Molecular Weight337.61 g/mol
Exact Mass335.92
IUPAC Name4-(3,4-dichlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C12H7Cl3O3S/c13-11-6-3-9(7-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H
InChIKeyWSEZTLINFKIBOX-UHFFFAOYSA-N
XLogP4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride (CID 3694483) is 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride?
The InChIKey is WSEZTLINFKIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O3S/c13-11-6-3-9(7-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H.
What are the key properties of 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride?
4-(3,4-dichlorophenoxy)benzenesulfonyl chloride has a molecular weight of 337.61 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 3694483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).