2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride

C10H12Cl2O2S — CID 84808045

IUPAC2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride
SMILESCc1cc(C)c(CCS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2S/c1-7-5-8(2)10(11)6-9(7)3-4-15(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyCYQYYYUMAGEGKM-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.07
Rot. Bonds3

About 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride

2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride (PubChem CID 84808045) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride
PubChem CID84808045
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride
SMILESCc1cc(C)c(CCS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2S/c1-7-5-8(2)10(11)6-9(7)3-4-15(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyCYQYYYUMAGEGKM-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride
CID 84806132
methyl 4-(2-chlorosulfonylethyl)-3-methylbenzoate
CID 86672795
4-(2,5-dimethylphenyl)butane-1-sulfonyl chloride
CID 98702218
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
CID 84809280
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
CID 84811476
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride (CID 84808045) is 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride is Cc1cc(C)c(CCS(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride?
The InChIKey is CYQYYYUMAGEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c1-7-5-8(2)10(11)6-9(7)3-4-15(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride?
2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride has a molecular weight of 267.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84808045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).