4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride

C7H6Cl2O3S — CID 87724299

IUPAC4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)ccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H6Cl2O3S/c1-4-5(8)2-3-6(7(4)10)13(9,11)12/h2-3,10H,1H3
InChIKeyVUYJMCDITKXTJW-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.28
Rot. Bonds1

About 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride

4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 87724299) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID87724299
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)ccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H6Cl2O3S/c1-4-5(8)2-3-6(7(4)10)13(9,11)12/h2-3,10H,1H3
InChIKeyVUYJMCDITKXTJW-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride (CID 87724299) is 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride is Cc1c(Cl)ccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is VUYJMCDITKXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-4-5(8)2-3-6(7(4)10)13(9,11)12/h2-3,10H,1H3.
What are the key properties of 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride?
4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride has a molecular weight of 241.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 87724299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).