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3-(4-chlorobenzenesulfonyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-(4-chlorobenzenesulfonyl)-5-(trifluoromethyl)pyridine-2-carboxamide

CAS: 338406-81-8

Formula: C13H8ClF3N2O3S

SMILES: NC(=O)C1=C(C=C(C=N1)C(F)(F)F)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: 3-(4-chlorobenzenesulfonyl)-5-(trifluoromethyl)pyridine-2-carboxamide

InChI: InChI=1S/C13H8ClF3N2O3S/c14-8-1-3-9(4-2-8)23(21,22)10-5-7(13(15,16)17)6-19-11(10)12(18)20/h1-6H,(H2,18,20)

Composition: C (42.81%), H (2.21%), Cl (9.72%), F (15.63%), N (7.68%), O (13.16%), S (8.79%)

Molar Mass: 364.72

Atom Count: 31

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 363.9896255
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LNAMDANCWNFOSK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.92
Topological Polar Surface Area 90.12
Polarizability 29.6
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338406-81-8 $51.35-$86.31$51.35$63.37$86.31
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