N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(4-fluorophenyl)methyl]-4-chlorobenzenesulfonamido}acetamide

N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(4-fluorophenyl)methyl]-4-chlorobenzenesulfonamido}acetamide

Formula: C22H18ClFN2O5S

SMILES: FC1=CC=C(CN(CC(=O)NC2=CC=C3OCOC3=C2)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(4-fluorophenyl)methyl]-4-chlorobenzenesulfonamido}acetamide

InChI: InChI=1S/C22H18ClFN2O5S/c23-16-3-8-19(9-4-16)32(28,29)26(12-15-1-5-17(24)6-2-15)13-22(27)25-18-7-10-20-21(11-18)31-14-30-20/h1-11H,12-14H2,(H,25,27)

Composition: C (55.41%), H (3.80%), Cl (7.43%), F (3.98%), N (5.87%), O (16.77%), S (6.72%)

Molar Mass: 476.9

Atom Count: 50

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	476.0608987
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LULKXSSPHKDBMN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.77
Topological Polar Surface Area	84.94
Polarizability	45.63
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18ClFN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00