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N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfonyl]phenyl}pyridine-3-carboxamide

N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfonyl]phenyl}pyridine-3-carboxamide

CAS: 2062071-04-7

Formula: C18H11ClF3N3O3S

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)S(=O)(=O)C1=CC=C(NC(=O)C2=CN=CC=C2)C=C1

IUPAC: N-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfonyl}phenyl)pyridine-3-carboxamide

InChI: InChI=1S/C18H11ClF3N3O3S/c19-15-8-12(18(20,21)22)10-24-17(15)29(27,28)14-5-3-13(4-6-14)25-16(26)11-2-1-7-23-9-11/h1-10H,(H,25,26)

Composition: C (48.93%), H (2.51%), Cl (8.02%), F (12.90%), N (9.51%), O (10.86%), S (7.26%)

Molar Mass: 441.81

Atom Count: 40

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 441.0161746
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RCAFXQKGDFXABY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.9
Topological Polar Surface Area 89.02
Polarizability 38.37
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2062071-04-7 $51.35-$86.31$51.35$63.37$86.31
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