3,5-dichloro-2-methoxybenzenesulfonyl chloride

C7H5Cl3O3S — CID 11076670

IUPAC3,5-dichloro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3
InChIKeyRJAMONJNAIYEBI-UHFFFAOYSA-N
MW275.54 g/mol
LogP2.93
Rot. Bonds2

About 3,5-dichloro-2-methoxybenzenesulfonyl chloride

3,5-dichloro-2-methoxybenzenesulfonyl chloride (PubChem CID 11076670) has the molecular formula C7H5Cl3O3S and a molecular weight of 275.54 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-2-methoxybenzenesulfonyl chloride
PubChem CID11076670
Molecular FormulaC7H5Cl3O3S
Molecular Weight275.54 g/mol
Exact Mass273.90
IUPAC Name3,5-dichloro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3
InChIKeyRJAMONJNAIYEBI-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 3,5-dichloro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-2-methoxybenzenesulfonyl chloride (CID 11076670) is 3,5-dichloro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-2-methoxybenzenesulfonyl chloride is COc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 3,5-dichloro-2-methoxybenzenesulfonyl chloride?
The InChIKey is RJAMONJNAIYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3.
What are the key properties of 3,5-dichloro-2-methoxybenzenesulfonyl chloride?
3,5-dichloro-2-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 3,5-dichloro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 11076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).