5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride

C13H10Cl2O2S — CID 82308432

IUPAC5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccccc2Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H10Cl2O2S/c1-9-6-7-10(8-13(9)18(15,16)17)11-4-2-3-5-12(11)14/h2-8H,1H3
InChIKeyCUBKWXNNNHUCCU-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.24
Rot. Bonds2

About 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride

5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride (PubChem CID 82308432) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
PubChem CID82308432
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccccc2Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H10Cl2O2S/c1-9-6-7-10(8-13(9)18(15,16)17)11-4-2-3-5-12(11)14/h2-8H,1H3
InChIKeyCUBKWXNNNHUCCU-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride (CID 82308432) is 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride is Cc1ccc(-c2ccccc2Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is CUBKWXNNNHUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-9-6-7-10(8-13(9)18(15,16)17)11-4-2-3-5-12(11)14/h2-8H,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride?
5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 301.19 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82308432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).