2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride

C9H10Cl2O3S — CID 84808556

IUPAC2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
SMILESCc1c(Cl)ccc(O)c1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-6-7(4-5-15(11,13)14)9(12)3-2-8(6)10/h2-3,12H,4-5H2,1H3
InChIKeyWQTUZLGZKSKCQP-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride

2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride (PubChem CID 84808556) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
PubChem CID84808556
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
SMILESCc1c(Cl)ccc(O)c1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-6-7(4-5-15(11,13)14)9(12)3-2-8(6)10/h2-3,12H,4-5H2,1H3
InChIKeyWQTUZLGZKSKCQP-UHFFFAOYSA-N
XLogP2.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride (CID 84808556) is 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride is Cc1c(Cl)ccc(O)c1CCS(=O)(=O)Cl.
What is the InChIKey of 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride?
The InChIKey is WQTUZLGZKSKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-6-7(4-5-15(11,13)14)9(12)3-2-8(6)10/h2-3,12H,4-5H2,1H3.
What are the key properties of 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride?
2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84808556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).