N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide

C20H23N5O2S — CID 113049646

IUPACN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCN(C)c1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N5O2S/c1-25(2)18-10-8-17(9-11-18)21-19-12-13-20(23-22-19)24-28(26,27)15-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBQYXOTOCYVHBFL-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.27
Rot. Bonds8

About N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide (PubChem CID 113049646) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
PubChem CID113049646
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCN(C)c1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N5O2S/c1-25(2)18-10-8-17(9-11-18)21-19-12-13-20(23-22-19)24-28(26,27)15-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBQYXOTOCYVHBFL-UHFFFAOYSA-N
XLogP3.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113016544
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide (CID 113049646) is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide is CN(C)c1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is BQYXOTOCYVHBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-25(2)18-10-8-17(9-11-18)21-19-12-13-20(23-22-19)24-28(26,27)15-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide?
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113049646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).