N-(pyridazin-3-ylmethyl)benzenesulfonamide

C11H11N3O2S — CID 106833682

IUPACN-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1ccccc1
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)13-9-10-5-4-8-12-14-10/h1-8,13H,9H2
InChIKeyXRVYUSJJXYVQOE-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.96
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)benzenesulfonamide

N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106833682) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106833682
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1ccccc1
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)13-9-10-5-4-8-12-14-10/h1-8,13H,9H2
InChIKeyXRVYUSJJXYVQOE-UHFFFAOYSA-N
XLogP0.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897525
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 107652634
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106833682) is N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccnn1)c1ccccc1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XRVYUSJJXYVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)13-9-10-5-4-8-12-14-10/h1-8,13H,9H2.
What are the key properties of N-(pyridazin-3-ylmethyl)benzenesulfonamide?
N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106833682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).