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N-{6-[6-chloro-5-(4-fluorobenzenesulfonamido)pyridin-3-yl]-1,3-benzothiazol-2-yl}acetamide

N-{6-[6-chloro-5-(4-fluorobenzenesulfonamido)pyridin-3-yl]-1,3-benzothiazol-2-yl}acetamide

CAS: 1112980-86-5

Formula: C20H14ClFN4O3S2

SMILES: CC(=O)NC1=NC2=CC=C(C=C2S1)C1=CN=C(Cl)C(NS(=O)(=O)C2=CC=C(F)C=C2)=C1

IUPAC: N-{6-[6-chloro-5-(4-fluorobenzenesulfonamido)pyridin-3-yl]-1,3-benzothiazol-2-yl}acetamide

InChI: InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)

Composition: C (50.37%), H (2.96%), Cl (7.43%), F (3.98%), N (11.75%), O (10.06%), S (13.44%)

Molar Mass: 476.93

Atom Count: 45

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 476.0179885
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YGBMCLDVRUGXOV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.36
Topological Polar Surface Area 101.05
Polarizability 47.05
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1112980-86-5 $1,092.50$1,092.50$1,092.50
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