4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane

C14H14Cl2O3S — CID 143162061

IUPAC4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O3S.C2H6/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16;1-2/h1-8H;1-2H3
InChIKeyHMCWGVZUHZQVIG-UHFFFAOYSA-N
MW333.24 g/mol
LogP5.09
Rot. Bonds3

About 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane

4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane (PubChem CID 143162061) has the molecular formula C14H14Cl2O3S and a molecular weight of 333.24 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane.

Molecular Properties

Compound Name4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
PubChem CID143162061
Molecular FormulaC14H14Cl2O3S
Molecular Weight333.24 g/mol
Exact Mass332.00
IUPAC Name4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O3S.C2H6/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16;1-2/h1-8H;1-2H3
InChIKeyHMCWGVZUHZQVIG-UHFFFAOYSA-N
XLogP5.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.24
LogP ≤ 55.09
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;ethane?
The IUPAC name of 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane (CID 143162061) is 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane.
What is the SMILES notation for 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane?
The canonical SMILES for 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane is CC.O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane?
The InChIKey is HMCWGVZUHZQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S.C2H6/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16;1-2/h1-8H;1-2H3.
What are the key properties of 4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane?
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane has a molecular weight of 333.24 g/mol, XLogP of 5.09, 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;ethane is sourced from PubChem (CID 143162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).