ISDA: 21OB

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1E3B

IUPAC Name: Sulfachlorpyridazine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=S(=O)(Nc1cccnn1)c1ccccc1

InChI: InChI=1S/C10H9N3O2S/c14-16(15,9-5-2-1-3-6-9)13-10-7-4-8-11-12-10/h1-8H,(H,12,13)

InChI Key: FQEBAJBGKKUVDW-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H9 Cl N4 O2 S

Molecular weight: 284.722

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 2

Rotatable Bonds: 4

Heavy Atoms: 18

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4-azanyl-~{N}-(6-chloranylpyridazin-3-yl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
InChIKey	InChI	1.06	XOXHILFPRYWFOD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)nn2
SMILES	CACTVS	3.385	Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)nn2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1N)S(=O)(=O)Nc2ccc(nn2)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N)S(=O)(=O)Nc2ccc(nn2)Cl

Chemical Database Mapping