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N-(4-chlorophenyl)-4-methoxy-N-({N'-[(E)-pyridin-4-ylmethylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

N-(4-chlorophenyl)-4-methoxy-N-({N'-[(E)-pyridin-4-ylmethylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

Formula: C21H19ClN4O4S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC1=CC=NC=C1)C1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-4-methoxy-N-({N'-[(E)-(pyridin-4-yl)methylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide

InChI: InChI=1S/C21H19ClN4O4S/c1-30-19-6-8-20(9-7-19)31(28,29)26(18-4-2-17(22)3-5-18)15-21(27)25-24-14-16-10-12-23-13-11-16/h2-14H,15H2,1H3,(H,25,27)/b24-14+

Composition: C (54.96%), H (4.17%), Cl (7.72%), N (12.21%), O (13.95%), S (6.99%)

Molar Mass: 458.92

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 458.081554
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey DGNZWKPDFKYKKE-ZVHZXABRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.9
Topological Polar Surface Area 100.96
Polarizability 45.76
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H19ClN4O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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