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

C7H10ClN3O3S — CID 116787512

IUPAC3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCl)n[nH]1
InChIInChI=1S/C7H10ClN3O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5H2,(H,9,11)(H,10,12)
InChIKeySCRVWJUBIUTIQR-UHFFFAOYSA-N
MW251.69 g/mol
LogP0.14
Rot. Bonds5

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

3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (PubChem CID 116787512) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
PubChem CID116787512
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCl)n[nH]1
InChIInChI=1S/C7H10ClN3O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5H2,(H,9,11)(H,10,12)
InChIKeySCRVWJUBIUTIQR-UHFFFAOYSA-N
XLogP0.14
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (CID 116787512) is 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is O=c1ccc(NS(=O)(=O)CCCCl)n[nH]1.
What is the InChIKey of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The InChIKey is SCRVWJUBIUTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5H2,(H,9,11)(H,10,12).
What are the key properties of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide has a molecular weight of 251.69 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 116787512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).