2-hydroxy-3-methylbenzenesulfonyl chloride

C7H7ClO3S — CID 55279841

IUPAC2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H7ClO3S/c1-5-3-2-4-6(7(5)9)12(8,10)11/h2-4,9H,1H3
InChIKeyOGWVONIHIWRAJG-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.63
Rot. Bonds1

About 2-hydroxy-3-methylbenzenesulfonyl chloride

2-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 55279841) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID55279841
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Name2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H7ClO3S/c1-5-3-2-4-6(7(5)9)12(8,10)11/h2-4,9H,1H3
InChIKeyOGWVONIHIWRAJG-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 2-hydroxy-3-methylbenzenesulfonyl chloride (CID 55279841) is 2-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-hydroxy-3-methylbenzenesulfonyl chloride is Cc1cccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 2-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is OGWVONIHIWRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-5-3-2-4-6(7(5)9)12(8,10)11/h2-4,9H,1H3.
What are the key properties of 2-hydroxy-3-methylbenzenesulfonyl chloride?
2-hydroxy-3-methylbenzenesulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 55279841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).