2,4,5-trichlorobenzenesulfonyl chloride

C6H2Cl4O2S — CID 27575

IUPAC2,4,5-trichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKeyWNVVRCKTQSCPAC-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.57
Rot. Bonds1

About 2,4,5-trichlorobenzenesulfonyl chloride

2,4,5-trichlorobenzenesulfonyl chloride (PubChem CID 27575) has the molecular formula C6H2Cl4O2S and a molecular weight of 279.96 g/mol. Its IUPAC name is 2,4,5-trichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4,5-trichlorobenzenesulfonyl chloride
PubChem CID27575
Molecular FormulaC6H2Cl4O2S
Molecular Weight279.96 g/mol
Exact Mass277.85
IUPAC Name2,4,5-trichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKeyWNVVRCKTQSCPAC-UHFFFAOYSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichlorobenzenesulfonyl chloride?
The IUPAC name of 2,4,5-trichlorobenzenesulfonyl chloride (CID 27575) is 2,4,5-trichlorobenzenesulfonyl chloride.
What is the SMILES notation for 2,4,5-trichlorobenzenesulfonyl chloride?
The canonical SMILES for 2,4,5-trichlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichlorobenzenesulfonyl chloride?
The InChIKey is WNVVRCKTQSCPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H.
What are the key properties of 2,4,5-trichlorobenzenesulfonyl chloride?
2,4,5-trichlorobenzenesulfonyl chloride has a molecular weight of 279.96 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichlorobenzenesulfonyl chloride is sourced from PubChem (CID 27575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).