2,3,5-trimethylbenzenesulfonyl chloride

C9H11ClO2S — CID 87650117

IUPAC2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO2S/c1-6-4-7(2)8(3)9(5-6)13(10,11)12/h4-5H,1-3H3
InChIKeyRAWFQGAFUXACQS-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.54
Rot. Bonds1

About 2,3,5-trimethylbenzenesulfonyl chloride

2,3,5-trimethylbenzenesulfonyl chloride (PubChem CID 87650117) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 2,3,5-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,5-trimethylbenzenesulfonyl chloride
PubChem CID87650117
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO2S/c1-6-4-7(2)8(3)9(5-6)13(10,11)12/h4-5H,1-3H3
InChIKeyRAWFQGAFUXACQS-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810
2-chloro-3-methoxy-5-methylbenzenesulfonyl chloride
CID 84708500
3-chloro-2-methoxy-5-methylbenzenesulfonyl chloride
CID 84708493
5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307949
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2-bromo-5-methylbenzenesulfonyl chloride
CID 15155338
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157191
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylbenzenesulfonyl chloride?
The IUPAC name of 2,3,5-trimethylbenzenesulfonyl chloride (CID 87650117) is 2,3,5-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 2,3,5-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 2,3,5-trimethylbenzenesulfonyl chloride is Cc1cc(C)c(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2,3,5-trimethylbenzenesulfonyl chloride?
The InChIKey is RAWFQGAFUXACQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-6-4-7(2)8(3)9(5-6)13(10,11)12/h4-5H,1-3H3.
What are the key properties of 2,3,5-trimethylbenzenesulfonyl chloride?
2,3,5-trimethylbenzenesulfonyl chloride has a molecular weight of 218.70 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 87650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).