3,5-dimethylbenzenesulfonyl fluoride

C8H9FO2S — CID 86062029

IUPAC3,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(C)cc(S(=O)(=O)F)c1
InChIInChI=1S/C8H9FO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKeyUSDUCJJANRAWTQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.96
Rot. Bonds1

About 3,5-dimethylbenzenesulfonyl fluoride

3,5-dimethylbenzenesulfonyl fluoride (PubChem CID 86062029) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 3,5-dimethylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3,5-dimethylbenzenesulfonyl fluoride
PubChem CID86062029
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name3,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(C)cc(S(=O)(=O)F)c1
InChIInChI=1S/C8H9FO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKeyUSDUCJJANRAWTQ-UHFFFAOYSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylbenzenesulfonyl fluoride
CID 9965
Sodium m-xylene-4-sulfonate
CID 23677979
2-Mesitylenesulfonyl chloride
CID 13046
2,4-Dimethylbenzenesulfonic acid
CID 6938
m-Toluenesulphonamide
CID 74697
Ammonium Xylenesulfonate
CID 33512
Benzenesulfonyl chloride, 2,4-dimethyl-
CID 69109
Benzenesulfonyl chloride, 2,5-dimethyl-
CID 87910
3,5-Dimethylbenzenethiol
CID 117548
Benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt (1:1)
CID 23661859
3,5-Dimethylbenzenesulfonamide
CID 12757679
3-Ethylbenzene-1-sulfonamide
CID 14763059

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzenesulfonyl fluoride?
The IUPAC name of 3,5-dimethylbenzenesulfonyl fluoride (CID 86062029) is 3,5-dimethylbenzenesulfonyl fluoride.
What is the SMILES notation for 3,5-dimethylbenzenesulfonyl fluoride?
The canonical SMILES for 3,5-dimethylbenzenesulfonyl fluoride is Cc1cc(C)cc(S(=O)(=O)F)c1.
What is the InChIKey of 3,5-dimethylbenzenesulfonyl fluoride?
The InChIKey is USDUCJJANRAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3.
What are the key properties of 3,5-dimethylbenzenesulfonyl fluoride?
3,5-dimethylbenzenesulfonyl fluoride has a molecular weight of 188.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylbenzenesulfonyl fluoride is sourced from PubChem (CID 86062029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).