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3-chloro-N-{4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-3-fluorophenyl}benzamide

3-chloro-N-{4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-3-fluorophenyl}benzamide

CAS: 478079-25-3

Formula: C23H20Cl2FN3O3S

SMILES: FC1=C(C=CC(NC(=O)C2=CC=CC(Cl)=C2)=C1)N1CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: 3-chloro-N-{4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-3-fluorophenyl}benzamide

InChI: InChI=1S/C23H20Cl2FN3O3S/c24-17-4-7-20(8-5-17)33(31,32)29-12-10-28(11-13-29)22-9-6-19(15-21(22)26)27-23(30)16-2-1-3-18(25)14-16/h1-9,14-15H,10-13H2,(H,27,30)

Composition: C (54.34%), H (3.97%), Cl (13.95%), F (3.74%), N (8.27%), O (9.44%), S (6.31%)

Molar Mass: 508.39

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 507.0586463
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LRUBJTUEIALYLY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 129.92
Topological Polar Surface Area 69.72
Polarizability 49.08
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478079-25-3 $51.35-$86.31$51.35$63.37$86.31
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