N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide

C19H20N4O3S — CID 113049923

IUPACN-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C19H20N4O3S/c1-2-27(24,25)23-19-13-12-18(21-22-19)20-16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,20,21)(H,22,23)
InChIKeyRDODFFGLBRMMRC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.56
Rot. Bonds8

About N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide

N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide (PubChem CID 113049923) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
PubChem CID113049923
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C19H20N4O3S/c1-2-27(24,25)23-19-13-12-18(21-22-19)20-16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,20,21)(H,22,23)
InChIKeyRDODFFGLBRMMRC-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide (CID 113049923) is N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The InChIKey is RDODFFGLBRMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-27(24,25)23-19-13-12-18(21-22-19)20-16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide is sourced from PubChem (CID 113049923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).