2,3,4,5-tetramethylbenzenesulfonyl chloride

C10H13ClO2S — CID 12503192

IUPAC2,3,4,5-tetramethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1C
InChIInChI=1S/C10H13ClO2S/c1-6-5-10(14(11,12)13)9(4)8(3)7(6)2/h5H,1-4H3
InChIKeyCTVZHDKAPTUSIU-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.85
Rot. Bonds1

About 2,3,4,5-tetramethylbenzenesulfonyl chloride

2,3,4,5-tetramethylbenzenesulfonyl chloride (PubChem CID 12503192) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 2,3,4,5-tetramethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,4,5-tetramethylbenzenesulfonyl chloride
PubChem CID12503192
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name2,3,4,5-tetramethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1C
InChIInChI=1S/C10H13ClO2S/c1-6-5-10(14(11,12)13)9(4)8(3)7(6)2/h5H,1-4H3
InChIKeyCTVZHDKAPTUSIU-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sodium Xylenesulfonate
CID 23668192
Sodium m-xylene-4-sulfonate
CID 23677979
2-Mesitylenesulfonyl chloride
CID 13046
2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
CID 81042
2,4,5-Trimethylbenzenesulfonic acid
CID 294870
Benzenesulfonyl chloride, 2,4-dimethyl-
CID 69109
Benzenesulfonyl chloride, 2,5-dimethyl-
CID 87910
Benzenesulfonic acid, dimethyl-
CID 172623
Naphthalenesulfonic acid, butyl-, sodium salt (1:1)
CID 56841915
Benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt (1:1)
CID 23661859
1,3,5-Trimethyl-2-(2,4,5-Trimethyl-Benzenesulfonyl)-Benzene
CID 71561951
4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride
CID 3868506

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylbenzenesulfonyl chloride?
The IUPAC name of 2,3,4,5-tetramethylbenzenesulfonyl chloride (CID 12503192) is 2,3,4,5-tetramethylbenzenesulfonyl chloride.
What is the SMILES notation for 2,3,4,5-tetramethylbenzenesulfonyl chloride?
The canonical SMILES for 2,3,4,5-tetramethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetramethylbenzenesulfonyl chloride?
The InChIKey is CTVZHDKAPTUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-6-5-10(14(11,12)13)9(4)8(3)7(6)2/h5H,1-4H3.
What are the key properties of 2,3,4,5-tetramethylbenzenesulfonyl chloride?
2,3,4,5-tetramethylbenzenesulfonyl chloride has a molecular weight of 232.73 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylbenzenesulfonyl chloride is sourced from PubChem (CID 12503192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).