2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-(3-hydroxypropyl)acetamide

2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-(3-hydroxypropyl)acetamide

Formula: C19H22ClFN2O4S

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

IUPAC: 2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-(3-hydroxypropyl)acetamide

InChI: InChI=1S/C19H22ClFN2O4S/c1-14-6-8-15(9-7-14)28(26,27)23(13-19(25)22-10-3-11-24)12-16-17(20)4-2-5-18(16)21/h2,4-9,24H,3,10-13H2,1H3,(H,22,25)

Composition: C (53.21%), H (5.17%), Cl (8.27%), F (4.43%), N (6.53%), O (14.92%), S (7.47%)

Molar Mass: 428.9

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.0972842
Formal Charge	0
FSP3	0.32
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XUSFMOQWVZSVDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.65
Topological Polar Surface Area	86.71
Polarizability	41.48
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22ClFN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00