4-hydroxy-3,5-dimethylbenzenesulfonyl chloride

C8H9ClO3S — CID 15710042

IUPAC4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C)c1O
InChIInChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyMDLFBQPKPHXUGF-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.94
Rot. Bonds1

About 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride

4-hydroxy-3,5-dimethylbenzenesulfonyl chloride (PubChem CID 15710042) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
PubChem CID15710042
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C)c1O
InChIInChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyMDLFBQPKPHXUGF-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

5-chlorosulfonyl-2-hydroxy-3-methylbenzoic acid
CID 16778297
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
methyl 5-chlorosulfonyl-2-hydroxy-3-methylbenzoate
CID 87968213
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
CID 130033661
methyl 4-hydroxy-3,5-dimethylbenzenesulfonate
CID 130033670
5-chlorosulfonyl-2,3-dimethylbenzoyl chloride
CID 116739998
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
3-carbamoyl-4,5-dimethylbenzenesulfonyl chloride
CID 65367984
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
CID 84800602
methyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 43436740

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride (CID 15710042) is 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The InChIKey is MDLFBQPKPHXUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
4-hydroxy-3,5-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 4-hydroxy-3,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 15710042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).