4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H14FN3O2S — CID 107327589

IUPAC4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H14FN3O2S/c1-9-6-11(14)7-10(2)13(9)20(18,19)16-8-12-4-3-5-15-17-12/h3-7,16H,8H2,1-2H3
InChIKeyVGIIKHIYEKEFIK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.71
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 107327589) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID107327589
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H14FN3O2S/c1-9-6-11(14)7-10(2)13(9)20(18,19)16-8-12-4-3-5-15-17-12/h3-7,16H,8H2,1-2H3
InChIKeyVGIIKHIYEKEFIK-UHFFFAOYSA-N
XLogP1.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 107327589) is 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is VGIIKHIYEKEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-6-11(14)7-10(2)13(9)20(18,19)16-8-12-4-3-5-15-17-12/h3-7,16H,8H2,1-2H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107327589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).