N-(4-chlorophenyl)-N-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)methanesulfonamide

N-(4-chlorophenyl)-N-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)methanesulfonamide

Formula: C22H26ClN3O3S

SMILES: CS(=O)(=O)N(CC(=O)N1CCN(CC=CC2=CC=CC=C2)CC1)C1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-N-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)methanesulfonamide

InChI: InChI=1S/C22H26ClN3O3S/c1-30(28,29)26(21-11-9-20(23)10-12-21)18-22(27)25-16-14-24(15-17-25)13-5-8-19-6-3-2-4-7-19/h2-12H,13-18H2,1H3/b8-5+

Composition: C (58.99%), H (5.85%), Cl (7.91%), N (9.38%), O (10.71%), S (7.16%)

Molar Mass: 447.98

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.1383406
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XEKHSKMFWVOQQA-VMPITWQZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.12
Topological Polar Surface Area	60.93
Polarizability	47.27
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00