N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide

C13H15N3O3S — CID 30860710

IUPACN-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
SMILESO=c1cccnn1CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15N3O3S/c17-13-8-4-9-14-16(13)11-5-10-15-20(18,19)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2
InChIKeyKHVCFBYZGPRFGP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.61
Rot. Bonds6

About N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide

N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide (PubChem CID 30860710) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
PubChem CID30860710
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
SMILESO=c1cccnn1CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15N3O3S/c17-13-8-4-9-14-16(13)11-5-10-15-20(18,19)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2
InChIKeyKHVCFBYZGPRFGP-UHFFFAOYSA-N
XLogP0.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide (CID 30860710) is N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide is O=c1cccnn1CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is KHVCFBYZGPRFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-13-8-4-9-14-16(13)11-5-10-15-20(18,19)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2.
What are the key properties of N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 30860710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).