N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide

C13H13N3O3S — CID 108784094

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
SMILESO=c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)n[nH]1
InChIInChI=1S/C13H13N3O3S/c17-13-7-6-12(14-15-13)9-2-1-3-10(8-9)16-20(18,19)11-4-5-11/h1-3,6-8,11,16H,4-5H2,(H,15,17)
InChIKeyLHUCICLMERIZMU-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.34
Rot. Bonds4

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide (PubChem CID 108784094) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
PubChem CID108784094
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
SMILESO=c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)n[nH]1
InChIInChI=1S/C13H13N3O3S/c17-13-7-6-12(14-15-13)9-2-1-3-10(8-9)16-20(18,19)11-4-5-11/h1-3,6-8,11,16H,4-5H2,(H,15,17)
InChIKeyLHUCICLMERIZMU-UHFFFAOYSA-N
XLogP1.34
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide (CID 108784094) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide is O=c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)n[nH]1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is LHUCICLMERIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-13-7-6-12(14-15-13)9-2-1-3-10(8-9)16-20(18,19)11-4-5-11/h1-3,6-8,11,16H,4-5H2,(H,15,17).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 108784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).