2-acetylbenzenesulfonyl fluoride

C8H7FO3S — CID 23617229

IUPAC2-acetylbenzenesulfonyl fluoride
SMILESCC(=O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO3S/c1-6(10)7-4-2-3-5-8(7)13(9,11)12/h2-5H,1H3
InChIKeyWZIRCNRSHAORQS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.55
Rot. Bonds2

About 2-acetylbenzenesulfonyl fluoride

2-acetylbenzenesulfonyl fluoride (PubChem CID 23617229) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-acetylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-acetylbenzenesulfonyl fluoride
PubChem CID23617229
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Name2-acetylbenzenesulfonyl fluoride
SMILESCC(=O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO3S/c1-6(10)7-4-2-3-5-8(7)13(9,11)12/h2-5H,1H3
InChIKeyWZIRCNRSHAORQS-UHFFFAOYSA-N
XLogP1.55
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetylbenzenesulfonyl fluoride?
The IUPAC name of 2-acetylbenzenesulfonyl fluoride (CID 23617229) is 2-acetylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-acetylbenzenesulfonyl fluoride?
The canonical SMILES for 2-acetylbenzenesulfonyl fluoride is CC(=O)c1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-acetylbenzenesulfonyl fluoride?
The InChIKey is WZIRCNRSHAORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3S/c1-6(10)7-4-2-3-5-8(7)13(9,11)12/h2-5H,1H3.
What are the key properties of 2-acetylbenzenesulfonyl fluoride?
2-acetylbenzenesulfonyl fluoride has a molecular weight of 202.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylbenzenesulfonyl fluoride is sourced from PubChem (CID 23617229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).