2-[N-(3-fluorophenyl)methanesulfonamido]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide

2-[N-(3-fluorophenyl)methanesulfonamido]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide

Formula: C22H21FN2O3S2

SMILES: CS(=O)(=O)N(CC(=O)NC1=CC=C(CSC2=CC=CC=C2)C=C1)C1=CC=CC(F)=C1

IUPAC: 2-[N-(3-fluorophenyl)methanesulfonamido]-N-{4-[(phenylsulfanyl)methyl]phenyl}acetamide

InChI: InChI=1S/C22H21FN2O3S2/c1-30(27,28)25(20-7-5-6-18(23)14-20)15-22(26)24-19-12-10-17(11-13-19)16-29-21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,24,26)

Composition: C (59.44%), H (4.76%), F (4.27%), N (6.30%), O (10.80%), S (14.42%)

Molar Mass: 444.54

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.097763055
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PYSXSYYNLFFHKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.64
Topological Polar Surface Area	66.48
Polarizability	46.09
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21FN2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00