3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

C11H11Cl4N5O2S — CID 158097413

IUPAC3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl.Clc1ccc(Cl)nn1
InChIInChI=1S/C7H9Cl2N3O2S.C4H2Cl2N2/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9;5-3-1-2-4(6)8-7-3/h3H,4H2,1-2H3;1-2H
InChIKeyFOVKWAUBZPYABG-UHFFFAOYSA-N
MW419.12 g/mol
LogP2.96
Rot. Bonds3

About 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (PubChem CID 158097413) has the molecular formula C11H11Cl4N5O2S and a molecular weight of 419.12 g/mol. Its IUPAC name is 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
PubChem CID158097413
Molecular FormulaC11H11Cl4N5O2S
Molecular Weight419.12 g/mol
Exact Mass416.94
IUPAC Name3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl.Clc1ccc(Cl)nn1
InChIInChI=1S/C7H9Cl2N3O2S.C4H2Cl2N2/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9;5-3-1-2-4(6)8-7-3/h3H,4H2,1-2H3;1-2H
InChIKeyFOVKWAUBZPYABG-UHFFFAOYSA-N
XLogP2.96
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (CID 158097413) is 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl.Clc1ccc(Cl)nn1.
What is the InChIKey of 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The InChIKey is FOVKWAUBZPYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2S.C4H2Cl2N2/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9;5-3-1-2-4(6)8-7-3/h3H,4H2,1-2H3;1-2H.
What are the key properties of 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide has a molecular weight of 419.12 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridazine;1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 158097413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).