2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride

C9H9Cl2FO2S — CID 84809280

IUPAC2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
SMILESCc1c(CCS(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C9H9Cl2FO2S/c1-6-7(4-5-15(11,13)14)2-3-8(12)9(6)10/h2-3H,4-5H2,1H3
InChIKeyLMCXEHDEPSJCNA-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride

2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride (PubChem CID 84809280) has the molecular formula C9H9Cl2FO2S and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
PubChem CID84809280
Molecular FormulaC9H9Cl2FO2S
Molecular Weight271.14 g/mol
Exact Mass269.97
IUPAC Name2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
SMILESCc1c(CCS(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C9H9Cl2FO2S/c1-6-7(4-5-15(11,13)14)2-3-8(12)9(6)10/h2-3H,4-5H2,1H3
InChIKeyLMCXEHDEPSJCNA-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride (CID 84809280) is 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride is Cc1c(CCS(=O)(=O)Cl)ccc(F)c1Cl.
What is the InChIKey of 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride?
The InChIKey is LMCXEHDEPSJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO2S/c1-6-7(4-5-15(11,13)14)2-3-8(12)9(6)10/h2-3H,4-5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride?
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride has a molecular weight of 271.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84809280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).