3-(pyridine-2-carbonyl)benzenesulfonyl fluoride

C12H8FNO3S — CID 165460462

IUPAC3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1cccc(S(=O)(=O)F)c1)c1ccccn1
InChIInChI=1S/C12H8FNO3S/c13-18(16,17)10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKeyGUBRNHPAYPVZPO-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.97
Rot. Bonds3

About 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride

3-(pyridine-2-carbonyl)benzenesulfonyl fluoride (PubChem CID 165460462) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
PubChem CID165460462
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Name3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1cccc(S(=O)(=O)F)c1)c1ccccn1
InChIInChI=1S/C12H8FNO3S/c13-18(16,17)10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKeyGUBRNHPAYPVZPO-UHFFFAOYSA-N
XLogP1.97
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
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[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6064728
2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
CID 54319481
CID 173156131
CID 173156131
[3-[1-(1-methylcyclohexyl)ethyl]phenyl]-pyridin-2-ylmethanone
CID 140585174
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride?
The IUPAC name of 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride (CID 165460462) is 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride is O=C(c1cccc(S(=O)(=O)F)c1)c1ccccn1.
What is the InChIKey of 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride?
The InChIKey is GUBRNHPAYPVZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-18(16,17)10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H.
What are the key properties of 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride?
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride has a molecular weight of 265.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-2-carbonyl)benzenesulfonyl fluoride is sourced from PubChem (CID 165460462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).