6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride

C13H10FNO3S — CID 165439295

IUPAC6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride
SMILESCC(=O)c1cccc(-c2cccc(S(=O)(=O)F)n2)c1
InChIInChI=1S/C13H10FNO3S/c1-9(16)10-4-2-5-11(8-10)12-6-3-7-13(15-12)19(14,17)18/h2-8H,1H3
InChIKeyBQEDOKMGSUNWAE-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.61
Rot. Bonds3

About 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride

6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride (PubChem CID 165439295) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride
PubChem CID165439295
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride
SMILESCC(=O)c1cccc(-c2cccc(S(=O)(=O)F)n2)c1
InChIInChI=1S/C13H10FNO3S/c1-9(16)10-4-2-5-11(8-10)12-6-3-7-13(15-12)19(14,17)18/h2-8H,1H3
InChIKeyBQEDOKMGSUNWAE-UHFFFAOYSA-N
XLogP2.61
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride?
The IUPAC name of 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride (CID 165439295) is 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride.
What is the SMILES notation for 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride?
The canonical SMILES for 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride is CC(=O)c1cccc(-c2cccc(S(=O)(=O)F)n2)c1.
What is the InChIKey of 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride?
The InChIKey is BQEDOKMGSUNWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-9(16)10-4-2-5-11(8-10)12-6-3-7-13(15-12)19(14,17)18/h2-8H,1H3.
What are the key properties of 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride?
6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride has a molecular weight of 279.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenyl)pyridine-2-sulfonyl fluoride is sourced from PubChem (CID 165439295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).