N-(4-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-ylsulfonyl}phenyl)acetamide

N-(4-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-ylsulfonyl}phenyl)acetamide

Formula: C20H24BrN3O4S

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

IUPAC: N-[4-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

InChI: InChI=1S/C20H24BrN3O4S/c1-15(25)22-18-4-6-19(7-5-18)29(26,27)24-11-9-23(10-12-24)14-16-13-17(21)3-8-20(16)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)

Composition: C (49.80%), H (5.01%), Br (16.56%), N (8.71%), O (13.27%), S (6.65%)

Molar Mass: 482.39

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	481.06709
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IGVLCIOTULVCNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.62
Topological Polar Surface Area	78.95
Polarizability	45.41
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H24BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00