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3-chloro-N-{3-[(1E)-1-[(4-methylbenzenesulfonamido)imino]ethyl]phenyl}benzamide

3-chloro-N-{3-[(1E)-1-[(4-methylbenzenesulfonamido)imino]ethyl]phenyl}benzamide

Formula: C22H20ClN3O3S

SMILES: CC(=N/NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC(NC(=O)C2=CC=CC(Cl)=C2)=C1

IUPAC: 3-chloro-N-{3-[(1E)-1-[(4-methylbenzenesulfonamido)imino]ethyl]phenyl}benzamide

InChI: InChI=1S/C22H20ClN3O3S/c1-15-9-11-21(12-10-15)30(28,29)26-25-16(2)17-5-4-8-20(14-17)24-22(27)18-6-3-7-19(23)13-18/h3-14,26H,1-2H3,(H,24,27)/b25-16+

Composition: C (59.79%), H (4.56%), Cl (8.02%), N (9.51%), O (10.86%), S (7.25%)

Molar Mass: 441.93

Atom Count: 50

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 441.0913904
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KRZXKEUVDYZALT-PCLIKHOPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.51
Topological Polar Surface Area 87.63
Polarizability 45.84
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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