N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-fluorophenyl)methanesulfonamide

N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-fluorophenyl)methanesulfonamide

Formula: C21H26FN3O3S

SMILES: CC1=C(C)C(=CC=C1)N1CCN(CC1)C(=O)CN(C1=CC=CC=C1F)S(C)(=O)=O

IUPAC: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-fluorophenyl)methanesulfonamide

InChI: InChI=1S/C21H26FN3O3S/c1-16-7-6-10-19(17(16)2)23-11-13-24(14-12-23)21(26)15-25(29(3,27)28)20-9-5-4-8-18(20)22/h4-10H,11-15H2,1-3H3

Composition: C (60.12%), H (6.25%), F (4.53%), N (10.02%), O (11.44%), S (7.64%)

Molar Mass: 419.52

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	419.167891046
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KTZGMQBEVFKOAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.19
Topological Polar Surface Area	60.93
Polarizability	42.96
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26FN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00