N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H16N6O4S — CID 71805301

IUPACN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N6O4S/c23-16-4-3-15(22-11-17-10-18-22)20-21(16)7-6-19-27(24,25)13-1-2-14-12(9-13)5-8-26-14/h1-4,9-11,19H,5-8H2
InChIKeyOHQCLURVCZDSRR-UHFFFAOYSA-N
MW388.41 g/mol
LogP-0.26
Rot. Bonds6

About N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 71805301) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID71805301
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC NameN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N6O4S/c23-16-4-3-15(22-11-17-10-18-22)20-21(16)7-6-19-27(24,25)13-1-2-14-12(9-13)5-8-26-14/h1-4,9-11,19H,5-8H2
InChIKeyOHQCLURVCZDSRR-UHFFFAOYSA-N
XLogP-0.26
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863179
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121139495
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55766382
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16905583
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121018551
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 71805301) is N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is OHQCLURVCZDSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c23-16-4-3-15(22-11-17-10-18-22)20-21(16)7-6-19-27(24,25)13-1-2-14-12(9-13)5-8-26-14/h1-4,9-11,19H,5-8H2.
What are the key properties of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 388.41 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 71805301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).