N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide

C13H14N4O2S — CID 178065218

IUPACN-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide
SMILESNc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)nn1
InChIInChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-10(8-9)17-20(18,19)11-4-5-11/h1-3,6-8,11,17H,4-5H2,(H2,14,16)
InChIKeyIIYUCVVMGBVNJC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds4

About N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide

N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide (PubChem CID 178065218) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide
PubChem CID178065218
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide
SMILESNc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)nn1
InChIInChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-10(8-9)17-20(18,19)11-4-5-11/h1-3,6-8,11,17H,4-5H2,(H2,14,16)
InChIKeyIIYUCVVMGBVNJC-UHFFFAOYSA-N
XLogP1.63
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide 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-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide (CID 178065218) is N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide is Nc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)nn1.
What is the InChIKey of N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is IIYUCVVMGBVNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-10(8-9)17-20(18,19)11-4-5-11/h1-3,6-8,11,17H,4-5H2,(H2,14,16).
What are the key properties of N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide?
N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 178065218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).