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N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,1,1-trifluoromethanesulfonamide

CAS: 338406-31-8

Formula: C9H8ClF6N3O2S

SMILES: FC(F)(F)C1=CC(Cl)=C(NCCNS(=O)(=O)C(F)(F)F)N=C1

IUPAC: N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,1,1-trifluoromethanesulfonamide

InChI: InChI=1S/C9H8ClF6N3O2S/c10-6-3-5(8(11,12)13)4-18-7(6)17-1-2-19-22(20,21)9(14,15)16/h3-4,19H,1-2H2,(H,17,18)

Composition: C (29.08%), H (2.17%), Cl (9.54%), F (30.67%), N (11.31%), O (8.61%), S (8.63%)

Molar Mass: 371.68

Atom Count: 30

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 370.9929944
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HOYFEYGNUAXKAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.63
Topological Polar Surface Area 71.09
Polarizability 24.74
Ring Count 1
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338406-31-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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