2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride

C12H17ClO2S — CID 116866416

IUPAC2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride
SMILESCc1ccc(C(C)(C)S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C12H17ClO2S/c1-8-6-7-11(10(3)9(8)2)12(4,5)16(13,14)15/h6-7H,1-5H3
InChIKeyYMRUANAIAHWYTQ-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.42
Rot. Bonds2

About 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride

2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride (PubChem CID 116866416) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride
PubChem CID116866416
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride
SMILESCc1ccc(C(C)(C)S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C12H17ClO2S/c1-8-6-7-11(10(3)9(8)2)12(4,5)16(13,14)15/h6-7H,1-5H3
InChIKeyYMRUANAIAHWYTQ-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
CID 81042
Benzene, tetraethyl-
CID 36568
1,2,4-Triethylbenzene
CID 13415
1,3-Diethyl-4-methylbenzene
CID 33044
1,4-Diethyl-2-methylbenzene
CID 139518
(E)-1-(2,3,6-trimethylphenyl)buta-1,3-diene
CID 20585933
2,3,5,6-Tetramethylbenzenesulfonyl chloride
CID 143740
1,2,3-Trimethyl-4-Ethylbenzene
CID 187815
1,2,4-Trimethyl-3-Ethylbenzene
CID 528692
1,2-Diethyl-3,4-dimethylbenzene
CID 590292
1,2,4-Tripropylbenzene
CID 600221
1-Tetradecanesulfonic acid, (dimethylphenyl)-
CID 138401187

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride?
The IUPAC name of 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride (CID 116866416) is 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride.
What is the SMILES notation for 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride?
The canonical SMILES for 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride is Cc1ccc(C(C)(C)S(=O)(=O)Cl)c(C)c1C.
What is the InChIKey of 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride?
The InChIKey is YMRUANAIAHWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c1-8-6-7-11(10(3)9(8)2)12(4,5)16(13,14)15/h6-7H,1-5H3.
What are the key properties of 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride?
2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride has a molecular weight of 260.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride is sourced from PubChem (CID 116866416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).