2,3,4-trimethylbenzenesulfonyl chloride

C9H11ClO2S — CID 13310191

IUPAC2,3,4-trimethylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C9H11ClO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3
InChIKeyAABCIIVNRRHNGQ-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.54
Rot. Bonds1

About 2,3,4-trimethylbenzenesulfonyl chloride

2,3,4-trimethylbenzenesulfonyl chloride (PubChem CID 13310191) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 2,3,4-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,4-trimethylbenzenesulfonyl chloride
PubChem CID13310191
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name2,3,4-trimethylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C9H11ClO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3
InChIKeyAABCIIVNRRHNGQ-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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylbenzenesulfonyl chloride?
The IUPAC name of 2,3,4-trimethylbenzenesulfonyl chloride (CID 13310191) is 2,3,4-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 2,3,4-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 2,3,4-trimethylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)c(C)c1C.
What is the InChIKey of 2,3,4-trimethylbenzenesulfonyl chloride?
The InChIKey is AABCIIVNRRHNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3.
What are the key properties of 2,3,4-trimethylbenzenesulfonyl chloride?
2,3,4-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 2,3,4-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 13310191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).