2,3,5,6-tetramethylbenzenesulfonyl fluoride

C10H13FO2S — CID 82284888

IUPAC2,3,5,6-tetramethylbenzenesulfonyl fluoride
SMILESCc1cc(C)c(C)c(S(=O)(=O)F)c1C
InChIInChI=1S/C10H13FO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3
InChIKeyOSALMMDMQBXQLX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds1

About 2,3,5,6-tetramethylbenzenesulfonyl fluoride

2,3,5,6-tetramethylbenzenesulfonyl fluoride (PubChem CID 82284888) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2,3,5,6-tetramethylbenzenesulfonyl fluoride
PubChem CID82284888
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name2,3,5,6-tetramethylbenzenesulfonyl fluoride
SMILESCc1cc(C)c(C)c(S(=O)(=O)F)c1C
InChIInChI=1S/C10H13FO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3
InChIKeyOSALMMDMQBXQLX-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetramethylbenzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylbenzenesulfonyl fluoride?
The IUPAC name of 2,3,5,6-tetramethylbenzenesulfonyl fluoride (CID 82284888) is 2,3,5,6-tetramethylbenzenesulfonyl fluoride.
What is the SMILES notation for 2,3,5,6-tetramethylbenzenesulfonyl fluoride?
The canonical SMILES for 2,3,5,6-tetramethylbenzenesulfonyl fluoride is Cc1cc(C)c(C)c(S(=O)(=O)F)c1C.
What is the InChIKey of 2,3,5,6-tetramethylbenzenesulfonyl fluoride?
The InChIKey is OSALMMDMQBXQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylbenzenesulfonyl fluoride?
2,3,5,6-tetramethylbenzenesulfonyl fluoride has a molecular weight of 216.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbenzenesulfonyl fluoride is sourced from PubChem (CID 82284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).