1-(4-methoxybenzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazine

1-(4-methoxybenzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazine

Formula: C18H21N3O5S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC2=CC=CC(=C2)[N+]([O-])=O)CC1

IUPAC: 1-(4-methoxybenzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C18H21N3O5S/c1-26-17-5-7-18(8-6-17)27(24,25)20-11-9-19(10-12-20)14-15-3-2-4-16(13-15)21(22)23/h2-8,13H,9-12,14H2,1H3

Composition: C (55.23%), H (5.41%), N (10.73%), O (20.44%), S (8.19%)

Molar Mass: 391.44

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	391.120191962
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	LMXBRNNMHXJGKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.46
Topological Polar Surface Area	92.99
Polarizability	39.62
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00