4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide

C8H12ClN3O3S — CID 116816612

IUPAC4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCCl)n[nH]1
InChIInChI=1S/C8H12ClN3O3S/c9-5-1-2-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4H,1-2,5-6H2,(H,10,12)(H,11,13)
InChIKeyWSZUCKZLNBYZOL-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.53
Rot. Bonds6

About 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide

4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide (PubChem CID 116816612) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
PubChem CID116816612
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCCl)n[nH]1
InChIInChI=1S/C8H12ClN3O3S/c9-5-1-2-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4H,1-2,5-6H2,(H,10,12)(H,11,13)
InChIKeyWSZUCKZLNBYZOL-UHFFFAOYSA-N
XLogP0.53
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide (CID 116816612) is 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide is O=c1ccc(NS(=O)(=O)CCCCCl)n[nH]1.
What is the InChIKey of 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The InChIKey is WSZUCKZLNBYZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c9-5-1-2-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4H,1-2,5-6H2,(H,10,12)(H,11,13).
What are the key properties of 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 116816612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).