4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide

C10H7ClFN3O2S — CID 118282474

IUPAC4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C10H7ClFN3O2S/c11-10-4-2-8(14-15-10)6-1-3-9(7(12)5-6)18(13,16)17/h1-5H,(H2,13,16,17)
InChIKeyLFJKEEAGCXYFNE-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.58
Rot. Bonds2

About 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide

4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 118282474) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide
PubChem CID118282474
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC Name4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C10H7ClFN3O2S/c11-10-4-2-8(14-15-10)6-1-3-9(7(12)5-6)18(13,16)17/h1-5H,(H2,13,16,17)
InChIKeyLFJKEEAGCXYFNE-UHFFFAOYSA-N
XLogP1.58
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide (CID 118282474) is 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is LFJKEEAGCXYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c11-10-4-2-8(14-15-10)6-1-3-9(7(12)5-6)18(13,16)17/h1-5H,(H2,13,16,17).
What are the key properties of 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide?
4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 287.70 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 118282474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).