2-chloro-5-methoxybenzenesulfonyl chloride

C7H6Cl2O3S — CID 22033536

IUPAC2-chloro-5-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3
InChIKeyMEAYPBQBXNTXBT-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-5-methoxybenzenesulfonyl chloride

2-chloro-5-methoxybenzenesulfonyl chloride (PubChem CID 22033536) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-chloro-5-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-methoxybenzenesulfonyl chloride
PubChem CID22033536
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name2-chloro-5-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3
InChIKeyMEAYPBQBXNTXBT-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-methoxybenzenesulfonyl chloride (CID 22033536) is 2-chloro-5-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-methoxybenzenesulfonyl chloride is COc1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-methoxybenzenesulfonyl chloride?
The InChIKey is MEAYPBQBXNTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3.
What are the key properties of 2-chloro-5-methoxybenzenesulfonyl chloride?
2-chloro-5-methoxybenzenesulfonyl chloride has a molecular weight of 241.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 22033536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).