4-(benzenesulfonylmethyl)pyridazine

C11H10N2O2S — CID 15356776

IUPAC4-(benzenesulfonylmethyl)pyridazine
SMILESO=S(=O)(Cc1ccnnc1)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-16(15,11-4-2-1-3-5-11)9-10-6-7-12-13-8-10/h1-8H,9H2
InChIKeyNPSZSBQADDXZLY-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.45
Rot. Bonds3

About 4-(benzenesulfonylmethyl)pyridazine

4-(benzenesulfonylmethyl)pyridazine (PubChem CID 15356776) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)pyridazine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)pyridazine
PubChem CID15356776
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(benzenesulfonylmethyl)pyridazine
SMILESO=S(=O)(Cc1ccnnc1)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-16(15,11-4-2-1-3-5-11)9-10-6-7-12-13-8-10/h1-8H,9H2
InChIKeyNPSZSBQADDXZLY-UHFFFAOYSA-N
XLogP1.45
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
3-(benzenesulfonylmethyl)thiophene
CID 14632150
4-(benzenesulfonylmethyl)-3-ethylpyridine
CID 10422775
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
(4-benzylsulfonylphenyl)boronic acid;methane
CID 158684616
7-(benzenesulfonylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 46882673
6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine
CID 15518938
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
CID 174823491
[2-[4-(benzenesulfonylmethyl)pyridazin-1-ium-1-yl]-2-cyanoethenylidene]azanide
CID 15356759
3-(benzenesulfonylmethyl)pyrazine-2-carbaldehyde
CID 58978766

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)pyridazine?
The IUPAC name of 4-(benzenesulfonylmethyl)pyridazine (CID 15356776) is 4-(benzenesulfonylmethyl)pyridazine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)pyridazine?
The canonical SMILES for 4-(benzenesulfonylmethyl)pyridazine is O=S(=O)(Cc1ccnnc1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)pyridazine?
The InChIKey is NPSZSBQADDXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-16(15,11-4-2-1-3-5-11)9-10-6-7-12-13-8-10/h1-8H,9H2.
What are the key properties of 4-(benzenesulfonylmethyl)pyridazine?
4-(benzenesulfonylmethyl)pyridazine has a molecular weight of 234.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)pyridazine is sourced from PubChem (CID 15356776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).