4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride

C9H11ClO3S — CID 82912727

IUPAC4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1O
InChIInChI=1S/C9H11ClO3S/c1-5-4-8(14(10,12)13)6(2)7(3)9(5)11/h4,11H,1-3H3
InChIKeyFTDAXFYOLCZUDQ-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.24
Rot. Bonds1

About 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride

4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride (PubChem CID 82912727) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
PubChem CID82912727
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1O
InChIInChI=1S/C9H11ClO3S/c1-5-4-8(14(10,12)13)6(2)7(3)9(5)11/h4,11H,1-3H3
InChIKeyFTDAXFYOLCZUDQ-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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Related Compounds

4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
CID 84800602
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
2,3,5-trimethyl-4-(2-methylprop-2-enoxy)benzenesulfonyl chloride
CID 82909947
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159
4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302306

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride?
The IUPAC name of 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride (CID 82912727) is 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1O.
What is the InChIKey of 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride?
The InChIKey is FTDAXFYOLCZUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-5-4-8(14(10,12)13)6(2)7(3)9(5)11/h4,11H,1-3H3.
What are the key properties of 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride?
4-hydroxy-2,3,5-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 4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 82912727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).