2,3-dichloro-4-methoxybenzenesulfonyl chloride

C7H5Cl3O3S — CID 15914268

IUPAC2,3-dichloro-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-4-2-3-5(14(10,11)12)7(9)6(4)8/h2-3H,1H3
InChIKeyAJHJBAMQCLTOGP-UHFFFAOYSA-N
MW275.54 g/mol
LogP2.93
Rot. Bonds2

About 2,3-dichloro-4-methoxybenzenesulfonyl chloride

2,3-dichloro-4-methoxybenzenesulfonyl chloride (PubChem CID 15914268) has the molecular formula C7H5Cl3O3S and a molecular weight of 275.54 g/mol. Its IUPAC name is 2,3-dichloro-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-methoxybenzenesulfonyl chloride
PubChem CID15914268
Molecular FormulaC7H5Cl3O3S
Molecular Weight275.54 g/mol
Exact Mass273.90
IUPAC Name2,3-dichloro-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-4-2-3-5(14(10,11)12)7(9)6(4)8/h2-3H,1H3
InChIKeyAJHJBAMQCLTOGP-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 2,3-dichloro-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-methoxybenzenesulfonyl chloride (CID 15914268) is 2,3-dichloro-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-methoxybenzenesulfonyl chloride?
The InChIKey is AJHJBAMQCLTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O3S/c1-13-4-2-3-5(14(10,11)12)7(9)6(4)8/h2-3H,1H3.
What are the key properties of 2,3-dichloro-4-methoxybenzenesulfonyl chloride?
2,3-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 2,3-dichloro-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 15914268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).