2-methoxybenzenesulfonyl chloride

C7H7ClO3S — CID 3745851

IUPAC2-methoxybenzenesulfonyl chloride
SMILESCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3
InChIKeyGYOBZOBUOMDRRN-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.62
Rot. Bonds2

About 2-methoxybenzenesulfonyl chloride

2-methoxybenzenesulfonyl chloride (PubChem CID 3745851) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxybenzenesulfonyl chloride
PubChem CID3745851
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Name2-methoxybenzenesulfonyl chloride
SMILESCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3
InChIKeyGYOBZOBUOMDRRN-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-methoxybenzenesulfonyl chloride (CID 3745851) is 2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-methoxybenzenesulfonyl chloride is COc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxybenzenesulfonyl chloride?
The InChIKey is GYOBZOBUOMDRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3.
What are the key properties of 2-methoxybenzenesulfonyl chloride?
2-methoxybenzenesulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 3745851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).