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

C14H18N4O2S — CID 113046386

IUPACN-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C14H18N4O2S/c1-4-21(19,20)18-14-8-7-13(16-17-14)15-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZAEFVUNLKGJGBH-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.60
Rot. Bonds5

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

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide (PubChem CID 113046386) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
PubChem CID113046386
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C14H18N4O2S/c1-4-21(19,20)18-14-8-7-13(16-17-14)15-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZAEFVUNLKGJGBH-UHFFFAOYSA-N
XLogP2.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(3,4-dimethylanilino)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

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113037989

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide (CID 113046386) is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide?
The InChIKey is ZAEFVUNLKGJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-21(19,20)18-14-8-7-13(16-17-14)15-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide?
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide is sourced from PubChem (CID 113046386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).