2,4-dichloro-N-{5-cyano-2-[(4-methylphenyl)sulfanyl]phenyl}benzamide

2,4-dichloro-N-{5-cyano-2-[(4-methylphenyl)sulfanyl]phenyl}benzamide

CAS: 303147-04-8

Formula: C21H14Cl2N2OS

SMILES: CC1=CC=C(SC2=C(NC(=O)C3=C(Cl)C=C(Cl)C=C3)C=C(C=C2)C#N)C=C1

IUPAC: 2,4-dichloro-N-{5-cyano-2-[(4-methylphenyl)sulfanyl]phenyl}benzamide

InChI: InChI=1S/C21H14Cl2N2OS/c1-13-2-6-16(7-3-13)27-20-9-4-14(12-24)10-19(20)25-21(26)17-8-5-15(22)11-18(17)23/h2-11H,1H3,(H,25,26)

Composition: C (61.03%), H (3.41%), Cl (17.15%), N (6.78%), O (3.87%), S (7.76%)

Molar Mass: 413.32

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	412.0203897
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HXVHNRBJJPKKSZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.65
Topological Polar Surface Area	52.89
Polarizability	42.92
Ring Count	3
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	303147-04-8		$51.35-$86.31$51.35$63.37$86.31