2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C11H7FN4O3S — CID 116787114

IUPAC2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H7FN4O3S/c12-8-2-1-3-9(7(8)6-13)20(18,19)16-10-4-5-11(17)15-14-10/h1-5H,(H,14,16)(H,15,17)
InChIKeyLRLKCMOXPNDOQH-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.58
Rot. Bonds3

About 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116787114) has the molecular formula C11H7FN4O3S and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116787114
Molecular FormulaC11H7FN4O3S
Molecular Weight294.27 g/mol
Exact Mass294.02
IUPAC Name2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H7FN4O3S/c12-8-2-1-3-9(7(8)6-13)20(18,19)16-10-4-5-11(17)15-14-10/h1-5H,(H,14,16)(H,15,17)
InChIKeyLRLKCMOXPNDOQH-UHFFFAOYSA-N
XLogP0.58
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79041116
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912639
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786255
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399135
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 83016497

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116787114) is 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is LRLKCMOXPNDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O3S/c12-8-2-1-3-9(7(8)6-13)20(18,19)16-10-4-5-11(17)15-14-10/h1-5H,(H,14,16)(H,15,17).
What are the key properties of 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 294.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116787114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).