2,3-dichloro-6-cyanobenzenesulfonyl chloride

C7H2Cl3NO2S — CID 130785388

IUPAC2,3-dichloro-6-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl3NO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H
InChIKeyJGJQGSDENCZURA-UHFFFAOYSA-N
MW270.52 g/mol
LogP2.79
Rot. Bonds1

About 2,3-dichloro-6-cyanobenzenesulfonyl chloride

2,3-dichloro-6-cyanobenzenesulfonyl chloride (PubChem CID 130785388) has the molecular formula C7H2Cl3NO2S and a molecular weight of 270.52 g/mol. Its IUPAC name is 2,3-dichloro-6-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-6-cyanobenzenesulfonyl chloride
PubChem CID130785388
Molecular FormulaC7H2Cl3NO2S
Molecular Weight270.52 g/mol
Exact Mass268.89
IUPAC Name2,3-dichloro-6-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl3NO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H
InChIKeyJGJQGSDENCZURA-UHFFFAOYSA-N
XLogP2.79
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
2,3-dibromo-6-cyanobenzenesulfonyl chloride
CID 131170016
2-cyano-6-hydroxybenzenesulfonyl chloride
CID 55280805
6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
CID 131392401
6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131489420
2-(chloromethyl)-6-cyano-3-ethylbenzenesulfonyl chloride
CID 131604242
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2-chlorobenzonitrile;sulfuryl dichloride
CID 157411242
3-chloro-6-(chloromethyl)-2-cyanobenzenesulfonyl chloride
CID 131523688
3-cyano-6-ethyl-2-iodobenzenesulfonyl chloride
CID 131599099
2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
CID 130996596
2,5-dichloro-4-cyanobenzenesulfonyl chloride
CID 131168951

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-cyanobenzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-6-cyanobenzenesulfonyl chloride (CID 130785388) is 2,3-dichloro-6-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-6-cyanobenzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-6-cyanobenzenesulfonyl chloride is N#Cc1ccc(Cl)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2,3-dichloro-6-cyanobenzenesulfonyl chloride?
The InChIKey is JGJQGSDENCZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3NO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H.
What are the key properties of 2,3-dichloro-6-cyanobenzenesulfonyl chloride?
2,3-dichloro-6-cyanobenzenesulfonyl chloride has a molecular weight of 270.52 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 130785388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).