4-methoxybenzenesulfonyl chloride

C7H7ClO3S — CID 7401

IUPAC4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyDTJVECUKADWGMO-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.62
Rot. Bonds2

About 4-methoxybenzenesulfonyl chloride

4-methoxybenzenesulfonyl chloride (PubChem CID 7401) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is 4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxybenzenesulfonyl chloride
PubChem CID7401
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Name4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyDTJVECUKADWGMO-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 4-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-methoxybenzenesulfonyl chloride (CID 7401) is 4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-methoxybenzenesulfonyl chloride?
The InChIKey is DTJVECUKADWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3.
What are the key properties of 4-methoxybenzenesulfonyl chloride?
4-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 4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 7401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).