4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride

C10H9Cl3O3S — CID 82910234

IUPAC4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
SMILESC/C=C/COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H9Cl3O3S/c1-2-3-4-16-9-5-8(12)10(6-7(9)11)17(13,14)15/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyWPBREDOYMBRUCN-NSCUHMNNSA-N
MW315.61 g/mol
LogP3.88
Rot. Bonds4

About 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride

4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride (PubChem CID 82910234) has the molecular formula C10H9Cl3O3S and a molecular weight of 315.61 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
PubChem CID82910234
Molecular FormulaC10H9Cl3O3S
Molecular Weight315.61 g/mol
Exact Mass313.93
IUPAC Name4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
SMILESC/C=C/COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H9Cl3O3S/c1-2-3-4-16-9-5-8(12)10(6-7(9)11)17(13,14)15/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyWPBREDOYMBRUCN-NSCUHMNNSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.61
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride?
The IUPAC name of 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride (CID 82910234) is 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride is C/C=C/COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride?
The InChIKey is WPBREDOYMBRUCN-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9Cl3O3S/c1-2-3-4-16-9-5-8(12)10(6-7(9)11)17(13,14)15/h2-3,5-6H,4H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride?
4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride has a molecular weight of 315.61 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 82910234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).