3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride

C11H9FN2O5S2 — CID 126815493

IUPAC3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESO=c1[nH]cccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H9FN2O5S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)14-10-5-2-6-13-11(10)15/h1-7,14H,(H,13,15)
InChIKeyQZGVHKMTGOQACL-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.83
Rot. Bonds4

About 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride

3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 126815493) has the molecular formula C11H9FN2O5S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID126815493
Molecular FormulaC11H9FN2O5S2
Molecular Weight332.33 g/mol
Exact Mass331.99
IUPAC Name3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESO=c1[nH]cccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H9FN2O5S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)14-10-5-2-6-13-11(10)15/h1-7,14H,(H,13,15)
InChIKeyQZGVHKMTGOQACL-UHFFFAOYSA-N
XLogP0.83
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
5-methyl-N-(2-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 110727191
3-[[5-hydroxy-6-(methylsulfamoyl)naphthalen-1-yl]sulfamoyl]benzenesulfonyl fluoride
CID 57071589
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
3-[[3-(2-amino-6-oxo-1H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride
CID 135491173
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-[[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzenesulfonyl fluoride
CID 166405966

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride (CID 126815493) is 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride is O=c1[nH]cccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is QZGVHKMTGOQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O5S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)14-10-5-2-6-13-11(10)15/h1-7,14H,(H,13,15).
What are the key properties of 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride?
3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 332.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 126815493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).