2-(2,6-dichlorophenyl)ethanesulfonyl chloride

C8H7Cl3O2S — CID 13237411

IUPAC2-(2,6-dichlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl3O2S/c9-7-2-1-3-8(10)6(7)4-5-14(11,12)13/h1-3H,4-5H2
InChIKeyZTCXGVMNBNUQIA-UHFFFAOYSA-N
MW273.57 g/mol
LogP3.10
Rot. Bonds3

About 2-(2,6-dichlorophenyl)ethanesulfonyl chloride

2-(2,6-dichlorophenyl)ethanesulfonyl chloride (PubChem CID 13237411) has the molecular formula C8H7Cl3O2S and a molecular weight of 273.57 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)ethanesulfonyl chloride
PubChem CID13237411
Molecular FormulaC8H7Cl3O2S
Molecular Weight273.57 g/mol
Exact Mass271.92
IUPAC Name2-(2,6-dichlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl3O2S/c9-7-2-1-3-8(10)6(7)4-5-14(11,12)13/h1-3H,4-5H2
InChIKeyZTCXGVMNBNUQIA-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2,6-dichlorophenyl)ethanesulfonyl chloride (CID 13237411) is 2-(2,6-dichlorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2,6-dichlorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2,6-dichlorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)ethanesulfonyl chloride?
The InChIKey is ZTCXGVMNBNUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O2S/c9-7-2-1-3-8(10)6(7)4-5-14(11,12)13/h1-3H,4-5H2.
What are the key properties of 2-(2,6-dichlorophenyl)ethanesulfonyl chloride?
2-(2,6-dichlorophenyl)ethanesulfonyl chloride has a molecular weight of 273.57 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 13237411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).