2-hydroxy-3,5-dimethylbenzenesulfonyl chloride

C8H9ClO3S — CID 55279813

IUPAC2-hydroxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO3S/c1-5-3-6(2)8(10)7(4-5)13(9,11)12/h3-4,10H,1-2H3
InChIKeyVDCHDSXNEUWUGQ-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.94
Rot. Bonds1

About 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride

2-hydroxy-3,5-dimethylbenzenesulfonyl chloride (PubChem CID 55279813) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-3,5-dimethylbenzenesulfonyl chloride
PubChem CID55279813
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name2-hydroxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO3S/c1-5-3-6(2)8(10)7(4-5)13(9,11)12/h3-4,10H,1-2H3
InChIKeyVDCHDSXNEUWUGQ-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride (CID 55279813) is 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride is Cc1cc(C)c(O)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
The InChIKey is VDCHDSXNEUWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-5-3-6(2)8(10)7(4-5)13(9,11)12/h3-4,10H,1-2H3.
What are the key properties of 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride?
2-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 2-hydroxy-3,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 55279813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).