2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-(pyridin-4-ylmethyl)acetamide

2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-(pyridin-4-ylmethyl)acetamide

Formula: C22H21ClFN3O3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)CC1=C(F)C=CC=C1Cl

IUPAC: 2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-[(pyridin-4-yl)methyl]acetamide

InChI: InChI=1S/C22H21ClFN3O3S/c1-16-5-7-18(8-6-16)31(29,30)27(14-19-20(23)3-2-4-21(19)24)15-22(28)26-13-17-9-11-25-12-10-17/h2-12H,13-15H2,1H3,(H,26,28)

Composition: C (57.20%), H (4.58%), Cl (7.67%), F (4.11%), N (9.10%), O (10.39%), S (6.94%)

Molar Mass: 461.94

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.0976186
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LJBXMWCIIAUXDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.94
Topological Polar Surface Area	79.37
Polarizability	45.82
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21ClFN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00