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N'-(4-((4-Chlorobenzyl)oxy)benzylidene)benzenesulfonohydrazide

HCID 9605979
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Basic information

CAS
528589-63-1
Standard SMILES
O=S(=O)(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIKey
PLRIJWKJMWASRP-HYARGMPZSA-N
Molecular formula
C20H17ClN2O3S
Average molar mass
400.9 g/mol
Monoisotopic mass
400.0648413

Names & identifiers

Preferred name
N'-(4-((4-Chlorobenzyl)oxy)benzylidene)benzenesulfonohydrazide
IUPAC
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
English name
N'-(4-((4-Chlorobenzyl)oxy)benzylidene)benzenesulfonohydrazide
Molecular formula
C20H17ClN2O3S
Molecular weight
400.88

Names & synonyms

AKOS024409758N'-(4-((4-CHLOROBENZYL)OXY)BENZYLIDENE)BENZENESULFONOHYDRAZIDEBenzenesulfonic acid, 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]hydrazide

Database identifiers

CAS
528589-63-1
PubChem CID
9605979
EC Number
128-298-9

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
556

Physicochemical properties

Boiling point
567.965 · 567.965±60.00 °C(Press: 760.00 Torr)(predicted)
Density
1.275 · 1.275±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
9.106 · 9.106±0.40(predicted)

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