3-hydroxy-4,5-dimethylbenzenesulfonyl chloride

C8H9ClO3S — CID 130769314

IUPAC3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(O)c1C
InChIInChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-8(10)6(5)2/h3-4,10H,1-2H3
InChIKeyCIBMLUSIJFCHDB-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.94
Rot. Bonds1

About 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride

3-hydroxy-4,5-dimethylbenzenesulfonyl chloride (PubChem CID 130769314) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
PubChem CID130769314
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(O)c1C
InChIInChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-8(10)6(5)2/h3-4,10H,1-2H3
InChIKeyCIBMLUSIJFCHDB-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
5-chlorosulfonyl-2,3-dimethylbenzoyl chloride
CID 116739998
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
3-carbamoyl-4,5-dimethylbenzenesulfonyl chloride
CID 65367984
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
methyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 43436740
5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888
5-chlorosulfonyl-2-hydroxy-3-methylbenzoic acid
CID 16778297
methyl 5-chlorosulfonyl-2-hydroxy-3-methylbenzoate
CID 87968213
3,4-dimethyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65368199
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride (CID 130769314) is 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(O)c1C.
What is the InChIKey of 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride?
The InChIKey is CIBMLUSIJFCHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-8(10)6(5)2/h3-4,10H,1-2H3.
What are the key properties of 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride?
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 130769314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).