4-[2-(N-benzyl-4-bromobenzenesulfonamido)acetamido]benzamide

4-[2-(N-benzyl-4-bromobenzenesulfonamido)acetamido]benzamide

Formula: C22H20BrN3O4S

SMILES: NC(=O)C1=CC=C(NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C2=CC=C(Br)C=C2)C=C1

IUPAC: 4-[2-(N-benzyl-4-bromobenzenesulfonamido)acetamido]benzamide

InChI: InChI=1S/C22H20BrN3O4S/c23-18-8-12-20(13-9-18)31(29,30)26(14-16-4-2-1-3-5-16)15-21(27)25-19-10-6-17(7-11-19)22(24)28/h1-13H,14-15H2,(H2,24,28)(H,25,27)

Composition: C (52.60%), H (4.01%), Br (15.91%), N (8.36%), O (12.74%), S (6.38%)

Molar Mass: 502.38

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	501.03579
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OGXDLKMCOVHRPX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.68
Topological Polar Surface Area	109.57
Polarizability	47.15
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00