4-(5-chloropyridazin-3-yl)benzenesulfonamide

C10H8ClN3O2S — CID 67822548

IUPAC4-(5-chloropyridazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(Cl)cnn2)cc1
InChIInChI=1S/C10H8ClN3O2S/c11-8-5-10(14-13-6-8)7-1-3-9(4-2-7)17(12,15)16/h1-6H,(H2,12,15,16)
InChIKeyPUYLDWMDLKZQLO-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.44
Rot. Bonds2

About 4-(5-chloropyridazin-3-yl)benzenesulfonamide

4-(5-chloropyridazin-3-yl)benzenesulfonamide (PubChem CID 67822548) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-(5-chloropyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-chloropyridazin-3-yl)benzenesulfonamide
PubChem CID67822548
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name4-(5-chloropyridazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(Cl)cnn2)cc1
InChIInChI=1S/C10H8ClN3O2S/c11-8-5-10(14-13-6-8)7-1-3-9(4-2-7)17(12,15)16/h1-6H,(H2,12,15,16)
InChIKeyPUYLDWMDLKZQLO-UHFFFAOYSA-N
XLogP1.44
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(5-chloropyridazin-3-yl)benzenesulfonamide (CID 67822548) is 4-(5-chloropyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-chloropyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-chloropyridazin-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(Cl)cnn2)cc1.
What is the InChIKey of 4-(5-chloropyridazin-3-yl)benzenesulfonamide?
The InChIKey is PUYLDWMDLKZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-8-5-10(14-13-6-8)7-1-3-9(4-2-7)17(12,15)16/h1-6H,(H2,12,15,16).
What are the key properties of 4-(5-chloropyridazin-3-yl)benzenesulfonamide?
4-(5-chloropyridazin-3-yl)benzenesulfonamide has a molecular weight of 269.71 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 67822548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).