4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide

C14H16N4O4S — CID 155564942

IUPAC4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(N3CCOCC3)cc2=O)cc1
InChIInChI=1S/C14H16N4O4S/c15-23(20,21)13-3-1-11(2-4-13)18-14(19)9-12(10-16-18)17-5-7-22-8-6-17/h1-4,9-10H,5-8H2,(H2,15,20,21)
InChIKeyYHEYJRUKOHDDDT-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.28
Rot. Bonds3

About 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide

4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide (PubChem CID 155564942) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide
PubChem CID155564942
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(N3CCOCC3)cc2=O)cc1
InChIInChI=1S/C14H16N4O4S/c15-23(20,21)13-3-1-11(2-4-13)18-14(19)9-12(10-16-18)17-5-7-22-8-6-17/h1-4,9-10H,5-8H2,(H2,15,20,21)
InChIKeyYHEYJRUKOHDDDT-UHFFFAOYSA-N
XLogP-0.28
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide (CID 155564942) is 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc(N3CCOCC3)cc2=O)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide?
The InChIKey is YHEYJRUKOHDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c15-23(20,21)13-3-1-11(2-4-13)18-14(19)9-12(10-16-18)17-5-7-22-8-6-17/h1-4,9-10H,5-8H2,(H2,15,20,21).
What are the key properties of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide?
4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 155564942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).