2-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-bromophenol

2-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-bromophenol

Formula: C17H19BrN2O3S

SMILES: OC1=CC=C(Br)C=C1CN1CCN(CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 2-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-bromophenol

InChI: InChI=1S/C17H19BrN2O3S/c18-15-6-7-17(21)14(12-15)13-19-8-10-20(11-9-19)24(22,23)16-4-2-1-3-5-16/h1-7,12,21H,8-11,13H2

Composition: C (49.64%), H (4.66%), Br (19.43%), N (6.81%), O (11.67%), S (7.79%)

Molar Mass: 411.31

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.029977
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SKALEENXERQVOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.28
Topological Polar Surface Area	60.85
Polarizability	38.58
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00