N-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-N-(4-fluorophenyl)methanesulfonamide

N-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-N-(4-fluorophenyl)methanesulfonamide

Formula: C21H25ClFN3O3S

SMILES: CC(N(C1=CC=C(F)C=C1)S(C)(=O)=O)C(=O)N1CCN(CC1)C1=CC(Cl)=CC=C1C

IUPAC: N-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-N-(4-fluorophenyl)methanesulfonamide

InChI: InChI=1/C21H25ClFN3O3S/c1-15-4-5-17(22)14-20(15)24-10-12-25(13-11-24)21(27)16(2)26(30(3,28)29)19-8-6-18(23)7-9-19/h4-9,14,16H,10-13H2,1-3H3

Composition: C (55.56%), H (5.55%), Cl (7.81%), F (4.19%), N (9.26%), O (10.57%), S (7.06%)

Molar Mass: 453.96

Atom Count: 55

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	453.1289187
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NVMURAWOBSNFOO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.44
Topological Polar Surface Area	60.93
Polarizability	44.94
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25ClFN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00