2-{N-[(4-methylphenyl)methyl]-4-bromobenzenesulfonamido}-N-(pyridin-2-ylmethyl)acetamide

2-{N-[(4-methylphenyl)methyl]-4-bromobenzenesulfonamido}-N-(pyridin-2-ylmethyl)acetamide

Formula: C22H22BrN3O3S

SMILES: CC1=CC=C(CN(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C2=CC=C(Br)C=C2)C=C1

IUPAC: 2-{N-[(4-methylphenyl)methyl]-4-bromobenzenesulfonamido}-N-[(pyridin-2-yl)methyl]acetamide

InChI: InChI=1S/C22H22BrN3O3S/c1-17-5-7-18(8-6-17)15-26(30(28,29)21-11-9-19(23)10-12-21)16-22(27)25-14-20-4-2-3-13-24-20/h2-13H,14-16H2,1H3,(H,25,27)

Composition: C (54.10%), H (4.54%), Br (16.36%), N (8.60%), O (9.83%), S (6.56%)

Molar Mass: 488.4

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	487.056526
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NYMOEYKAWZKYBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.02
Topological Polar Surface Area	79.37
Polarizability	46.98
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22BrN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00