N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide

Formula: C27H30N2O3S

SMILES: CC1=CC=C(C=C1)N(CC(=O)N1CCC(CC2=CC=CC=C2)CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide

InChI: InChI=1S/C27H30N2O3S/c1-22-12-14-25(15-13-22)29(33(31,32)26-10-6-3-7-11-26)21-27(30)28-18-16-24(17-19-28)20-23-8-4-2-5-9-23/h2-15,24H,16-21H2,1H3

Composition: C (70.10%), H (6.54%), N (6.06%), O (10.38%), S (6.93%)

Molar Mass: 462.61

Atom Count: 63

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 462.197714008
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FMPWKUBYUMUBEZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.91
Topological Polar Surface Area 57.69
Polarizability 51.68
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H30N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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