3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine

C14H19N5O4S — CID 113048909

IUPAC3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nn2)cc1OC
InChIInChI=1S/C14H19N5O4S/c1-19(2)24(20,21)18-14-8-7-13(16-17-14)15-10-5-6-11(22-3)12(9-10)23-4/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyJNJRHGNZVDDEGS-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.46
Rot. Bonds7

About 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine

3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine (PubChem CID 113048909) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
PubChem CID113048909
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nn2)cc1OC
InChIInChI=1S/C14H19N5O4S/c1-19(2)24(20,21)18-14-8-7-13(16-17-14)15-10-5-6-11(22-3)12(9-10)23-4/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyJNJRHGNZVDDEGS-UHFFFAOYSA-N
XLogP1.46
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
methyl 3-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049450
3-(4-chloro-2-methoxy-5-methylanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113051006
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
5-(dimethylsulfamoylamino)-2-(2-methoxyanilino)pyridine
CID 113019343
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine?
The IUPAC name of 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine (CID 113048909) is 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine is COc1ccc(Nc2ccc(NS(=O)(=O)N(C)C)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine?
The InChIKey is JNJRHGNZVDDEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-19(2)24(20,21)18-14-8-7-13(16-17-14)15-10-5-6-11(22-3)12(9-10)23-4/h5-9H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine?
3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine has a molecular weight of 353.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine is sourced from PubChem (CID 113048909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).