N-(pyridazin-3-ylmethyl)propane-2-sulfonamide

C8H13N3O2S — CID 106833722

IUPACN-(pyridazin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H13N3O2S/c1-7(2)14(12,13)10-6-8-4-3-5-9-11-8/h3-5,7,10H,6H2,1-2H3
InChIKeyKOOQJSPYVPDJHM-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.30
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)propane-2-sulfonamide

N-(pyridazin-3-ylmethyl)propane-2-sulfonamide (PubChem CID 106833722) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)propane-2-sulfonamide
PubChem CID106833722
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(pyridazin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H13N3O2S/c1-7(2)14(12,13)10-6-8-4-3-5-9-11-8/h3-5,7,10H,6H2,1-2H3
InChIKeyKOOQJSPYVPDJHM-UHFFFAOYSA-N
XLogP0.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(pyridazin-3-ylmethyl)propane-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-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)propane-2-sulfonamide (CID 106833722) is N-(pyridazin-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is KOOQJSPYVPDJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-7(2)14(12,13)10-6-8-4-3-5-9-11-8/h3-5,7,10H,6H2,1-2H3.
What are the key properties of N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
N-(pyridazin-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106833722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).