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

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

Formula: C19H22BrN3O4S

SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC2=CC(Br)=CC=C2O)CC1

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

InChI: InChI=1S/C19H22BrN3O4S/c1-14(24)21-17-3-5-18(6-4-17)28(26,27)23-10-8-22(9-11-23)13-15-12-16(20)2-7-19(15)25/h2-7,12,25H,8-11,13H2,1H3,(H,21,24)

Composition: C (48.72%), H (4.73%), Br (17.06%), N (8.97%), O (13.66%), S (6.85%)

Molar Mass: 468.37

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	467.05144
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PSWCJXAGWPWJQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.14
Topological Polar Surface Area	89.95
Polarizability	43.52
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00