6-chloro-2,3-dimethylbenzenesulfonyl chloride

C8H8Cl2O2S — CID 84701104

IUPAC6-chloro-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)8(6(5)2)13(10,11)12/h3-4H,1-2H3
InChIKeySNYAKKPTCKWNAC-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.88
Rot. Bonds1

About 6-chloro-2,3-dimethylbenzenesulfonyl chloride

6-chloro-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 84701104) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2,3-dimethylbenzenesulfonyl chloride
PubChem CID84701104
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name6-chloro-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(Cl)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)8(6(5)2)13(10,11)12/h3-4H,1-2H3
InChIKeySNYAKKPTCKWNAC-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 6-chloro-2,3-dimethylbenzenesulfonyl chloride (CID 84701104) is 6-chloro-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 6-chloro-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 6-chloro-2,3-dimethylbenzenesulfonyl chloride is Cc1ccc(Cl)c(S(=O)(=O)Cl)c1C.
What is the InChIKey of 6-chloro-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is SNYAKKPTCKWNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c1-5-3-4-7(9)8(6(5)2)13(10,11)12/h3-4H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethylbenzenesulfonyl chloride?
6-chloro-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 239.12 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 84701104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).