N-[4-chloro-3-(trifluoromethyl)phenyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide

Formula: C20H20ClF4N3O3S

SMILES: CS(=O)(=O)N(CC(=O)N1CCN(CC1)C1=CC=CC=C1F)C1=CC=C(Cl)C(=C1)C(F)(F)F

IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide

InChI: InChI=1S/C20H20ClF4N3O3S/c1-32(30,31)28(14-6-7-16(21)15(12-14)20(23,24)25)13-19(29)27-10-8-26(9-11-27)18-5-3-2-4-17(18)22/h2-7,12H,8-11,13H2,1H3

Composition: C (48.64%), H (4.08%), Cl (7.18%), F (15.39%), N (8.51%), O (9.72%), S (6.49%)

Molar Mass: 493.9

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	493.085003
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CIEGYISGYIFCJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.88
Topological Polar Surface Area	60.93
Polarizability	42.65
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20ClF4N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00