3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide

C11H7FN4O2S — CID 116787092

IUPAC3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C11H7FN4O2S/c12-10-4-3-9(6-8(10)7-13)19(17,18)16-11-2-1-5-14-15-11/h1-6H,(H,15,16)
InChIKeyVPJMVPICHODYLK-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.29
Rot. Bonds3

About 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide

3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116787092) has the molecular formula C11H7FN4O2S and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116787092
Molecular FormulaC11H7FN4O2S
Molecular Weight278.27 g/mol
Exact Mass278.03
IUPAC Name3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C11H7FN4O2S/c12-10-4-3-9(6-8(10)7-13)19(17,18)16-11-2-1-5-14-15-11/h1-6H,(H,15,16)
InChIKeyVPJMVPICHODYLK-UHFFFAOYSA-N
XLogP1.29
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 116787092) is 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2cccnn2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is VPJMVPICHODYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2S/c12-10-4-3-9(6-8(10)7-13)19(17,18)16-11-2-1-5-14-15-11/h1-6H,(H,15,16).
What are the key properties of 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 278.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116787092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).