N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide

C16H22N4O5S — CID 113050598

IUPACN-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C16H22N4O5S/c1-5-8-26(21,22)20-15-7-6-14(18-19-15)17-11-9-12(23-2)16(25-4)13(10-11)24-3/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyAHTUEUUJWFMXKM-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.40
Rot. Bonds9

About N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113050598) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113050598
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C16H22N4O5S/c1-5-8-26(21,22)20-15-7-6-14(18-19-15)17-11-9-12(23-2)16(25-4)13(10-11)24-3/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyAHTUEUUJWFMXKM-UHFFFAOYSA-N
XLogP2.40
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-(3,4,5-trimethoxyanilino)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-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
CID 113050576
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992
3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113048909
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide (CID 113050598) is N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is AHTUEUUJWFMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-5-8-26(21,22)20-15-7-6-14(18-19-15)17-11-9-12(23-2)16(25-4)13(10-11)24-3/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113050598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).