2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C12H14N4O3S2 — CID 116786253

IUPAC2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESNc1ccccc1SCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H14N4O3S2/c13-9-3-1-2-4-10(9)20-7-8-21(18,19)16-11-5-6-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyYLLOZHSPWFTUOO-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.89
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 116786253) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID116786253
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESNc1ccccc1SCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H14N4O3S2/c13-9-3-1-2-4-10(9)20-7-8-21(18,19)16-11-5-6-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyYLLOZHSPWFTUOO-UHFFFAOYSA-N
XLogP0.89
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide 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

4-amino-N-(6-hydroxypyridazin-3-yl)-benzenesulfonamide
CID 102491422
3-Sulfanilamido-6-oxopyridazine
CID 113563836
2-amino-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786236
3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786242
5-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786244
2-amino-5-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786250
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
2-amino-6-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786261
3-amino-5-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786262
2-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786268
4-amino-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786295
4,4-dioxo-1H-4lambda6,1,2-benzothiadiazine-3-carboxamide
CID 69743281

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 116786253) is 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is Nc1ccccc1SCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is YLLOZHSPWFTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c13-9-3-1-2-4-10(9)20-7-8-21(18,19)16-11-5-6-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 116786253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).