1-(4-bromobenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(4-bromobenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

Formula: C20H23BrN2O3S

SMILES: BrC1=CC=C(C=C1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CC=CC=C1

IUPAC: 1-(4-bromobenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

InChI: InChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)23-14-11-17(12-15-23)20(24)22-13-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,22,24)

Composition: C (53.22%), H (5.14%), Br (17.70%), N (6.21%), O (10.63%), S (7.10%)

Molar Mass: 451.38

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	450.061277
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PYPTXVSCNNNRPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.1
Topological Polar Surface Area	66.48
Polarizability	43.17
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00