3-chlorobenzenesulfonyl chloride

C6H4Cl2O2S — CID 17909

IUPAC3-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKeyOINWZUJVEXUHCC-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.27
Rot. Bonds1

About 3-chlorobenzenesulfonyl chloride

3-chlorobenzenesulfonyl chloride (PubChem CID 17909) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is 3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chlorobenzenesulfonyl chloride
PubChem CID17909
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Name3-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKeyOINWZUJVEXUHCC-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzenesulfonyl chloride?
The IUPAC name of 3-chlorobenzenesulfonyl chloride (CID 17909) is 3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 3-chlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzenesulfonyl chloride?
The InChIKey is OINWZUJVEXUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H.
What are the key properties of 3-chlorobenzenesulfonyl chloride?
3-chlorobenzenesulfonyl chloride has a molecular weight of 211.07 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 17909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).