6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine

C16H14N4O2S — CID 53198931

IUPAC6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C16H14N4O2S/c21-23(22,14-7-2-1-3-8-14)16-10-9-15(19-20-16)18-12-13-6-4-5-11-17-13/h1-11H,12H2,(H,18,19)
InChIKeyWSXAFVQAIZKALQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.32
Rot. Bonds5

About 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine

6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine (PubChem CID 53198931) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine
PubChem CID53198931
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C16H14N4O2S/c21-23(22,14-7-2-1-3-8-14)16-10-9-15(19-20-16)18-12-13-6-4-5-11-17-13/h1-11H,12H2,(H,18,19)
InChIKeyWSXAFVQAIZKALQ-UHFFFAOYSA-N
XLogP2.32
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine (CID 53198931) is 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine is O=S(=O)(c1ccccc1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The InChIKey is WSXAFVQAIZKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-23(22,14-7-2-1-3-8-14)16-10-9-15(19-20-16)18-12-13-6-4-5-11-17-13/h1-11H,12H2,(H,18,19).
What are the key properties of 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine has a molecular weight of 326.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 53198931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).