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

C17H13ClN4O2S — CID 564221

IUPAC4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H13ClN4O2S/c18-16-10-11-17(21-20-16)22-25(23,24)15-8-6-14(7-9-15)19-12-13-4-2-1-3-5-13/h1-12H,(H,21,22)/b19-12+
InChIKeyAPDXYUBTVFWGGC-XDHOZWIPSA-N
MW372.84 g/mol
LogP3.68
Rot. Bonds5

About 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide

4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide (PubChem CID 564221) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide
PubChem CID564221
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H13ClN4O2S/c18-16-10-11-17(21-20-16)22-25(23,24)15-8-6-14(7-9-15)19-12-13-4-2-1-3-5-13/h1-12H,(H,21,22)/b19-12+
InChIKeyAPDXYUBTVFWGGC-XDHOZWIPSA-N
XLogP3.68
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405557
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 25049181
N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine
CID 71392429
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 132817469
N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
CID 7574897
1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine
CID 10979321
N,1-diphenylmethanimine
CID 10858
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
CID 6405555

Frequently Asked Questions

What is the IUPAC name of 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide (CID 564221) is 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The InChIKey is APDXYUBTVFWGGC-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c18-16-10-11-17(21-20-16)22-25(23,24)15-8-6-14(7-9-15)19-12-13-4-2-1-3-5-13/h1-12H,(H,21,22)/b19-12+.
What are the key properties of 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide has a molecular weight of 372.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 564221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).