1-{[4-(methylsulfanyl)phenyl]methyl}-4-(4-nitrobenzenesulfonyl)piperazine

1-{[4-(methylsulfanyl)phenyl]methyl}-4-(4-nitrobenzenesulfonyl)piperazine

Formula: C18H21N3O4S2

SMILES: CSC1=CC=C(CN2CCN(CC2)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-(4-nitrobenzenesulfonyl)piperazine

InChI: InChI=1S/C18H21N3O4S2/c1-26-17-6-2-15(3-7-17)14-19-10-12-20(13-11-19)27(24,25)18-8-4-16(5-9-18)21(22)23/h2-9H,10-14H2,1H3

Composition: C (53.05%), H (5.19%), N (10.31%), O (15.70%), S (15.73%)

Molar Mass: 407.5

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	407.097348516
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ZOEXRPRPWVFGRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.75
Topological Polar Surface Area	83.76
Polarizability	41.96
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00