N-(6-chloropyridazin-3-yl)benzenesulfonamide

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Basic information

CAS: 90799-88-5
Standard SMILES: O=S(=O)(Nc1ccc(Cl)nn1)c1ccccc1
InChIKey: JFTYCPHJPZEKKY-UHFFFAOYSA-N
Molecular formula: C10H8ClN3O2S
Average molar mass: 269.71 g/mol
Monoisotopic mass: 269.0025754

Names & identifiers

Preferred name: N-(6-chloropyridazin-3-yl)benzenesulfonamide
IUPAC: N-(6-chloropyridazin-3-yl)benzenesulfonamide

Names & synonyms

N-(6-chloropyridazin-3-yl)benzenesulfonamide90799-88-5MLS000761463SCHEMBL924615CHEMBL1382745JFTYCPHJPZEKKY-UHFFFAOYSA-NDTXSID901332924HMS2684H23AKOS029678832DA-40664SMR000371557Z56968302

Database identifiers

CAS: 90799-88-5
PubChem CID: 6407597
DTXSID: DTXSID901332924
ChEMBL: CHEMBL1382745

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 338

Experimental & physicochemical properties

Solubility20 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

2 records

New reaction record

HRID 252737As reactantuspto-grants-2011_01

HRID 2135104As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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