N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide

C19H20N4O3S — CID 113048267

IUPACN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4O3S/c1-26-17-9-5-8-16(14-17)20-18-10-11-19(22-21-18)23-27(24,25)13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZGBYJVGPRYOFHV-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.21
Rot. Bonds8

About N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide

N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (PubChem CID 113048267) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
PubChem CID113048267
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4O3S/c1-26-17-9-5-8-16(14-17)20-18-10-11-19(22-21-18)23-27(24,25)13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZGBYJVGPRYOFHV-UHFFFAOYSA-N
XLogP3.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide 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

N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (CID 113048267) is N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is COc1cccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is ZGBYJVGPRYOFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-17-9-5-8-16(14-17)20-18-10-11-19(22-21-18)23-27(24,25)13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113048267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).