(2,4-dichlorophenyl)methanesulfonyl chloride

C7H5Cl3O2S — CID 594471

IUPAC(2,4-dichlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeySNLHLLYEHFIELA-UHFFFAOYSA-N
MW259.54 g/mol
LogP3.06
Rot. Bonds2

About (2,4-dichlorophenyl)methanesulfonyl chloride

(2,4-dichlorophenyl)methanesulfonyl chloride (PubChem CID 594471) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.54 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methanesulfonyl chloride
PubChem CID594471
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.54 g/mol
Exact Mass257.91
IUPAC Name(2,4-dichlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeySNLHLLYEHFIELA-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methanesulfonyl chloride?
The IUPAC name of (2,4-dichlorophenyl)methanesulfonyl chloride (CID 594471) is (2,4-dichlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (2,4-dichlorophenyl)methanesulfonyl chloride?
The canonical SMILES for (2,4-dichlorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methanesulfonyl chloride?
The InChIKey is SNLHLLYEHFIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (2,4-dichlorophenyl)methanesulfonyl chloride?
(2,4-dichlorophenyl)methanesulfonyl chloride has a molecular weight of 259.54 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 594471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).