4-(4-chlorophenoxy)benzenesulfonyl chloride

C12H8Cl2O3S — CID 2757750

IUPAC4-(4-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H
InChIKeyXOXRXINFTQAJBW-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-chlorophenoxy)benzenesulfonyl chloride

4-(4-chlorophenoxy)benzenesulfonyl chloride (PubChem CID 2757750) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-chlorophenoxy)benzenesulfonyl chloride
PubChem CID2757750
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name4-(4-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H
InChIKeyXOXRXINFTQAJBW-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(4-chlorophenoxy)benzenesulfonyl chloride (CID 2757750) is 4-(4-chlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-chlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-chlorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)benzenesulfonyl chloride?
The InChIKey is XOXRXINFTQAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H.
What are the key properties of 4-(4-chlorophenoxy)benzenesulfonyl chloride?
4-(4-chlorophenoxy)benzenesulfonyl chloride has a molecular weight of 303.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2757750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).