N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide

C8H9N3O2S — CID 163910751

IUPACN-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C8H9N3O2S/c1-3-7(2)14(12,13)11-8-5-4-6-9-10-8/h3-6H,1-2H2,(H,10,11)
InChIKeyQRWFLPPJOBWBED-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.92
Rot. Bonds4

About N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide

N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide (PubChem CID 163910751) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound NameN-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide
PubChem CID163910751
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C8H9N3O2S/c1-3-7(2)14(12,13)11-8-5-4-6-9-10-8/h3-6H,1-2H2,(H,10,11)
InChIKeyQRWFLPPJOBWBED-UHFFFAOYSA-N
XLogP0.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide?
The IUPAC name of N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide (CID 163910751) is N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide.
What is the SMILES notation for N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide?
The canonical SMILES for N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide is C=CC(=C)S(=O)(=O)Nc1cccnn1.
What is the InChIKey of N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide?
The InChIKey is QRWFLPPJOBWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-3-7(2)14(12,13)11-8-5-4-6-9-10-8/h3-6H,1-2H2,(H,10,11).
What are the key properties of N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide?
N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide is sourced from PubChem (CID 163910751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).