4-methylbenzenesulfonyl fluoride

C7H7FO2S — CID 9965

IUPAC4-methylbenzenesulfonyl fluoride
SMILESCc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKeyIZZYABADQVQHLC-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.65
Rot. Bonds1

About 4-methylbenzenesulfonyl fluoride

4-methylbenzenesulfonyl fluoride (PubChem CID 9965) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-methylbenzenesulfonyl fluoride
PubChem CID9965
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Name4-methylbenzenesulfonyl fluoride
SMILESCc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKeyIZZYABADQVQHLC-UHFFFAOYSA-N
XLogP1.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenesulfonyl fluoride?
The IUPAC name of 4-methylbenzenesulfonyl fluoride (CID 9965) is 4-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-methylbenzenesulfonyl fluoride?
The canonical SMILES for 4-methylbenzenesulfonyl fluoride is Cc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-methylbenzenesulfonyl fluoride?
The InChIKey is IZZYABADQVQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3.
What are the key properties of 4-methylbenzenesulfonyl fluoride?
4-methylbenzenesulfonyl fluoride has a molecular weight of 174.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 9965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).