3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride

C9H11ClO3S — CID 84797178

IUPAC3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1O
InChIInChI=1S/C9H11ClO3S/c1-5-4-6(2)9(14(10,12)13)7(3)8(5)11/h4,11H,1-3H3
InChIKeyYUXRKRPLRBWPDQ-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.24
Rot. Bonds1

About 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride

3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride (PubChem CID 84797178) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride
PubChem CID84797178
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1O
InChIInChI=1S/C9H11ClO3S/c1-5-4-6(2)9(14(10,12)13)7(3)8(5)11/h4,11H,1-3H3
InChIKeyYUXRKRPLRBWPDQ-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride?
The IUPAC name of 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride (CID 84797178) is 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1O.
What is the InChIKey of 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride?
The InChIKey is YUXRKRPLRBWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-5-4-6(2)9(14(10,12)13)7(3)8(5)11/h4,11H,1-3H3.
What are the key properties of 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride?
3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 84797178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).