2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide

C18H18N6O4S — CID 121037094

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C18H18N6O4S/c25-17-5-2-6-18(26)23(17)9-10-29(27,28)22-14-4-1-3-13(11-14)15-7-8-16-20-19-12-24(16)21-15/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2
InChIKeyCZBGZVFUPPGNNS-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.07
Rot. Bonds6

About 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide (PubChem CID 121037094) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
PubChem CID121037094
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C18H18N6O4S/c25-17-5-2-6-18(26)23(17)9-10-29(27,28)22-14-4-1-3-13(11-14)15-7-8-16-20-19-12-24(16)21-15/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2
InChIKeyCZBGZVFUPPGNNS-UHFFFAOYSA-N
XLogP1.07
TPSA126.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide
CID 122284330
2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037099
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16802745
1-acetyl-2-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121037080
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
6-oxo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036292
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
CID 121036278

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide (CID 121037094) is 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide?
The InChIKey is CZBGZVFUPPGNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c25-17-5-2-6-18(26)23(17)9-10-29(27,28)22-14-4-1-3-13(11-14)15-7-8-16-20-19-12-24(16)21-15/h1,3-4,7-8,11-12,22H,2,5-6,9-10H2.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 121037094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).