N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide

C15H20N4O2S — CID 113046314

IUPACN-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-9-22(20,21)19-15-8-7-14(17-18-15)16-13-10-11(2)5-6-12(13)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyABQTZQLUUREAJR-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.99
Rot. Bonds6

About N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113046314) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113046314
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-9-22(20,21)19-15-8-7-14(17-18-15)16-13-10-11(2)5-6-12(13)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyABQTZQLUUREAJR-UHFFFAOYSA-N
XLogP2.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide 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-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide (CID 113046314) is N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1.
What is the InChIKey of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is ABQTZQLUUREAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-9-22(20,21)19-15-8-7-14(17-18-15)16-13-10-11(2)5-6-12(13)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113046314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).