chloro dichloro-(2-chlorophenyl)methanesulfonate

C7H4Cl4O3S — CID 87484856

IUPACchloro dichloro-(2-chlorophenyl)methanesulfonate
SMILESO=S(=O)(OCl)C(Cl)(Cl)c1ccccc1Cl
InChIInChI=1S/C7H4Cl4O3S/c8-6-4-2-1-3-5(6)7(9,10)15(12,13)14-11/h1-4H
InChIKeyIDJYEROYLBSMGC-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.43
Rot. Bonds3

About chloro dichloro-(2-chlorophenyl)methanesulfonate

chloro dichloro-(2-chlorophenyl)methanesulfonate (PubChem CID 87484856) has the molecular formula C7H4Cl4O3S and a molecular weight of 309.99 g/mol. Its IUPAC name is chloro dichloro-(2-chlorophenyl)methanesulfonate.

Molecular Properties

Compound Namechloro dichloro-(2-chlorophenyl)methanesulfonate
PubChem CID87484856
Molecular FormulaC7H4Cl4O3S
Molecular Weight309.99 g/mol
Exact Mass307.86
IUPAC Namechloro dichloro-(2-chlorophenyl)methanesulfonate
SMILESO=S(=O)(OCl)C(Cl)(Cl)c1ccccc1Cl
InChIInChI=1S/C7H4Cl4O3S/c8-6-4-2-1-3-5(6)7(9,10)15(12,13)14-11/h1-4H
InChIKeyIDJYEROYLBSMGC-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro dichloro-(2-chlorophenyl)methanesulfonate?
The IUPAC name of chloro dichloro-(2-chlorophenyl)methanesulfonate (CID 87484856) is chloro dichloro-(2-chlorophenyl)methanesulfonate.
What is the SMILES notation for chloro dichloro-(2-chlorophenyl)methanesulfonate?
The canonical SMILES for chloro dichloro-(2-chlorophenyl)methanesulfonate is O=S(=O)(OCl)C(Cl)(Cl)c1ccccc1Cl.
What is the InChIKey of chloro dichloro-(2-chlorophenyl)methanesulfonate?
The InChIKey is IDJYEROYLBSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4O3S/c8-6-4-2-1-3-5(6)7(9,10)15(12,13)14-11/h1-4H.
What are the key properties of chloro dichloro-(2-chlorophenyl)methanesulfonate?
chloro dichloro-(2-chlorophenyl)methanesulfonate has a molecular weight of 309.99 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro dichloro-(2-chlorophenyl)methanesulfonate is sourced from PubChem (CID 87484856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).