2,5-dichloro-4-methoxybenzenesulfonyl chloride

C7H5Cl3O3S — CID 43134433

IUPAC2,5-dichloro-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3
InChIKeyUXVBWWBVJVHLTI-UHFFFAOYSA-N
MW275.54 g/mol
LogP2.93
Rot. Bonds2

About 2,5-dichloro-4-methoxybenzenesulfonyl chloride

2,5-dichloro-4-methoxybenzenesulfonyl chloride (PubChem CID 43134433) has the molecular formula C7H5Cl3O3S and a molecular weight of 275.54 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-methoxybenzenesulfonyl chloride
PubChem CID43134433
Molecular FormulaC7H5Cl3O3S
Molecular Weight275.54 g/mol
Exact Mass273.90
IUPAC Name2,5-dichloro-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3
InChIKeyUXVBWWBVJVHLTI-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-methoxybenzenesulfonyl chloride (CID 43134433) is 2,5-dichloro-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-methoxybenzenesulfonyl chloride is COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxybenzenesulfonyl chloride?
The InChIKey is UXVBWWBVJVHLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3.
What are the key properties of 2,5-dichloro-4-methoxybenzenesulfonyl chloride?
2,5-dichloro-4-methoxybenzenesulfonyl chloride has a molecular weight of 275.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 43134433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).