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

C22H24N4O4S — CID 6411216

IUPAC4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-26(4-2)31(27,28)18-8-6-17(7-9-18)23-22-12-10-19(24-25-22)16-5-11-20-21(15-16)30-14-13-29-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyAKYIRAUKBHVCNY-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.69
Rot. Bonds7

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

4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide (PubChem CID 6411216) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide
PubChem CID6411216
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-26(4-2)31(27,28)18-8-6-17(7-9-18)23-22-12-10-19(24-25-22)16-5-11-20-21(15-16)30-14-13-29-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyAKYIRAUKBHVCNY-UHFFFAOYSA-N
XLogP3.69
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.69
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-diethylbenzenesulfonamide?
The IUPAC name of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide (CID 6411216) is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide is CCN(CC)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-diethylbenzenesulfonamide?
The InChIKey is AKYIRAUKBHVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-3-26(4-2)31(27,28)18-8-6-17(7-9-18)23-22-12-10-19(24-25-22)16-5-11-20-21(15-16)30-14-13-29-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide?
4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N,N-diethylbenzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 3.69, 7 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-diethylbenzenesulfonamide is sourced from PubChem (CID 6411216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).