4-phenoxybenzenesulfonyl chloride

C12H9ClO3S — CID 2794756

IUPAC4-phenoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H
InChIKeyQIZPONOMFWAPRR-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.41
Rot. Bonds3

About 4-phenoxybenzenesulfonyl chloride

4-phenoxybenzenesulfonyl chloride (PubChem CID 2794756) has the molecular formula C12H9ClO3S and a molecular weight of 268.72 g/mol. Its IUPAC name is 4-phenoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-phenoxybenzenesulfonyl chloride
PubChem CID2794756
Molecular FormulaC12H9ClO3S
Molecular Weight268.72 g/mol
Exact Mass268.00
IUPAC Name4-phenoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H
InChIKeyQIZPONOMFWAPRR-UHFFFAOYSA-N
XLogP3.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxybenzenesulfonyl chloride?
The IUPAC name of 4-phenoxybenzenesulfonyl chloride (CID 2794756) is 4-phenoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-phenoxybenzenesulfonyl chloride?
The canonical SMILES for 4-phenoxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxybenzenesulfonyl chloride?
The InChIKey is QIZPONOMFWAPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-phenoxybenzenesulfonyl chloride?
4-phenoxybenzenesulfonyl chloride has a molecular weight of 268.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzenesulfonyl chloride is sourced from PubChem (CID 2794756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).