1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine

Formula: C18H21BrN2O3S

SMILES: COC1=CC=C(Br)C=C1CN1CCN(CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine

InChI: InChI=1S/C18H21BrN2O3S/c1-24-18-8-7-16(19)13-15(18)14-20-9-11-21(12-10-20)25(22,23)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3

Composition: C (50.83%), H (4.98%), Br (18.79%), N (6.59%), O (11.28%), S (7.54%)

Molar Mass: 425.34

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.045627
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CVTOXLSHMJVWEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.76
Topological Polar Surface Area	49.85
Polarizability	40.48
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00