2-(4-methylphenyl)ethanesulfonyl chloride

C9H11ClO2S — CID 2760653

IUPAC2-(4-methylphenyl)ethanesulfonyl chloride
SMILESCc1ccc(CCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3
InChIKeyKHGAWSFTMGXQID-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-methylphenyl)ethanesulfonyl chloride

2-(4-methylphenyl)ethanesulfonyl chloride (PubChem CID 2760653) has the molecular formula C9H11ClO2S and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-methylphenyl)ethanesulfonyl chloride
PubChem CID2760653
Molecular FormulaC9H11ClO2S
Molecular Weight218.71 g/mol
Exact Mass218.02
IUPAC Name2-(4-methylphenyl)ethanesulfonyl chloride
SMILESCc1ccc(CCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3
InChIKeyKHGAWSFTMGXQID-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-methylphenyl)ethanesulfonyl chloride (CID 2760653) is 2-(4-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-methylphenyl)ethanesulfonyl chloride is Cc1ccc(CCS(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethanesulfonyl chloride?
The InChIKey is KHGAWSFTMGXQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)ethanesulfonyl chloride?
2-(4-methylphenyl)ethanesulfonyl chloride has a molecular weight of 218.71 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 2760653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).