N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide

C20H22N4O3S — CID 113046481

IUPACN-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-27-17-5-7-18(8-6-17)28(25,26)24-20-10-9-19(22-23-20)21-16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyVPFRNVZCKCNBDS-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.04
Rot. Bonds7

About N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide

N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 113046481) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID113046481
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-27-17-5-7-18(8-6-17)28(25,26)24-20-10-9-19(22-23-20)21-16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyVPFRNVZCKCNBDS-UHFFFAOYSA-N
XLogP4.04
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide 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-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (CID 113046481) is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nn2)cc1.
What is the InChIKey of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is VPFRNVZCKCNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-27-17-5-7-18(8-6-17)28(25,26)24-20-10-9-19(22-23-20)21-16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113046481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).