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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Related Compounds

6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 27373507
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113042062
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724

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).