3-(4-methylphenyl)benzenesulfonyl chloride

C13H11ClO2S — CID 4524173

IUPAC3-(4-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)17(14,15)16/h2-9H,1H3
InChIKeyJGYKVRFGHDJJJZ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.59
Rot. Bonds2

About 3-(4-methylphenyl)benzenesulfonyl chloride

3-(4-methylphenyl)benzenesulfonyl chloride (PubChem CID 4524173) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-(4-methylphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-methylphenyl)benzenesulfonyl chloride
PubChem CID4524173
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name3-(4-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)17(14,15)16/h2-9H,1H3
InChIKeyJGYKVRFGHDJJJZ-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-(4-methylphenyl)benzenesulfonyl chloride (CID 4524173) is 3-(4-methylphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-methylphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-methylphenyl)benzenesulfonyl chloride is Cc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)benzenesulfonyl chloride?
The InChIKey is JGYKVRFGHDJJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)17(14,15)16/h2-9H,1H3.
What are the key properties of 3-(4-methylphenyl)benzenesulfonyl chloride?
3-(4-methylphenyl)benzenesulfonyl chloride has a molecular weight of 266.75 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 4524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).