5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C19H22N4O6S — CID 53080787

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C19H22N4O6S/c1-12-19(13(2)29-22-12)23-18(24)8-6-15(21-23)14-5-7-16(28-4)17(11-14)30(25,26)20-9-10-27-3/h5-8,11,20H,9-10H2,1-4H3
InChIKeyYVGREOSTMSIPKO-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.44
Rot. Bonds8

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 53080787) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID53080787
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C19H22N4O6S/c1-12-19(13(2)29-22-12)23-18(24)8-6-15(21-23)14-5-7-16(28-4)17(11-14)30(25,26)20-9-10-27-3/h5-8,11,20H,9-10H2,1-4H3
InChIKeyYVGREOSTMSIPKO-UHFFFAOYSA-N
XLogP1.44
TPSA125.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 53080787) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is YVGREOSTMSIPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-12-19(13(2)29-22-12)23-18(24)8-6-15(21-23)14-5-7-16(28-4)17(11-14)30(25,26)20-9-10-27-3/h5-8,11,20H,9-10H2,1-4H3.
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 434.47 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 53080787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).