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N-[4-(5-{[(4Z)-3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

N-[4-(5-{[(4Z)-3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

Formula: C23H16F3N3O6S

SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1C(=O)NN(C1=O)C1=CC=CC(=C1)C(F)(F)F

IUPAC: N-[4-(5-{[(4Z)-3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

InChI: InChI=1S/C23H16F3N3O6S/c1-13(30)28-36(33,34)18-8-5-14(6-9-18)20-10-7-17(35-20)12-19-21(31)27-29(22(19)32)16-4-2-3-15(11-16)23(24,25)26/h2-12H,1H3,(H,27,31)(H,28,30)/b19-12-

Composition: C (53.18%), H (3.10%), F (10.97%), N (8.09%), O (18.48%), S (6.17%)

Molar Mass: 519.45

Atom Count: 52

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 519.07119091
Formal Charge 0
FSP3 0.09
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XIGYWZHSSWEVLR-UNOMPAQXSA-N
Lipinski's Rule of Five
Molar Refractivity 120.95
Topological Polar Surface Area 125.79
Polarizability 46.77
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H16F3N3O6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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