N-(4-fluorophenyl)-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide

N-(4-fluorophenyl)-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide

CAS: 303988-21-8

Formula: C20H15FN2O3S

SMILES: CC1=CC=C(SC2=C(C=C(C=C2)C(=O)NC2=CC=C(F)C=C2)[N+]([O-])=O)C=C1

IUPAC: N-(4-fluorophenyl)-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide

InChI: InChI=1S/C20H15FN2O3S/c1-13-2-9-17(10-3-13)27-19-11-4-14(12-18(19)23(25)26)20(24)22-16-7-5-15(21)6-8-16/h2-12H,1H3,(H,22,24)

Composition: C (62.82%), H (3.95%), F (4.97%), N (7.33%), O (12.55%), S (8.38%)

Molar Mass: 382.41

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.078741688
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CEQWHJTUZOHKCR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.85
Topological Polar Surface Area	72.24
Polarizability	38.87
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	303988-21-8		$51.35-$524.40$51.35$63.37$86.31$524.40