(3,5-dichlorophenyl)methanesulfonyl chloride

C7H5Cl3O2S — CID 4993270

IUPAC(3,5-dichlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H5Cl3O2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyGZMJRPMBVICCFL-UHFFFAOYSA-N
MW259.54 g/mol
LogP3.06
Rot. Bonds2

About (3,5-dichlorophenyl)methanesulfonyl chloride

(3,5-dichlorophenyl)methanesulfonyl chloride (PubChem CID 4993270) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.54 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methanesulfonyl chloride
PubChem CID4993270
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.54 g/mol
Exact Mass257.91
IUPAC Name(3,5-dichlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H5Cl3O2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyGZMJRPMBVICCFL-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 (3,5-dichlorophenyl)methanesulfonyl chloride?
The IUPAC name of (3,5-dichlorophenyl)methanesulfonyl chloride (CID 4993270) is (3,5-dichlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,5-dichlorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3,5-dichlorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)methanesulfonyl chloride?
The InChIKey is GZMJRPMBVICCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (3,5-dichlorophenyl)methanesulfonyl chloride?
(3,5-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 (3,5-dichlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 4993270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).