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2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

Formula: C26H28FN3O5S2

SMILES: CC1=CC=C(C=C1)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: 2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

InChI: InChI=1S/C26H28FN3O5S2/c1-20-5-11-23(12-6-20)30(37(34,35)25-13-7-21(27)8-14-25)19-26(31)28-22-9-15-24(16-10-22)36(32,33)29-17-3-2-4-18-29/h5-16H,2-4,17-19H2,1H3,(H,28,31)

Composition: C (57.23%), H (5.17%), F (3.48%), N (7.70%), O (14.66%), S (11.75%)

Molar Mass: 545.64

Atom Count: 65

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 545.145441525
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey FKYDHFPMCNCGLS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 141.5
Topological Polar Surface Area 103.86
Polarizability 54.9
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H28FN3O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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