4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

C20H20N4O4S — CID 6411215

IUPAC4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
InChIInChI=1S/C20H20N4O4S/c1-24(2)29(25,26)16-6-4-15(5-7-16)21-20-10-8-17(22-23-20)14-3-9-18-19(13-14)28-12-11-27-18/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyUABZBXNZJNETGE-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.91
Rot. Bonds5

About 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 6411215) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID6411215
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
InChIInChI=1S/C20H20N4O4S/c1-24(2)29(25,26)16-6-4-15(5-7-16)21-20-10-8-17(22-23-20)14-3-9-18-19(13-14)28-12-11-27-18/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyUABZBXNZJNETGE-UHFFFAOYSA-N
XLogP2.91
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 6411215) is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1.
What is the InChIKey of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UABZBXNZJNETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-24(2)29(25,26)16-6-4-15(5-7-16)21-20-10-8-17(22-23-20)14-3-9-18-19(13-14)28-12-11-27-18/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 6411215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).