4,5-dimethoxy-N-[4-(morpholine-4-sulfonyl)phenyl]-2-nitrobenzamide

4,5-dimethoxy-N-[4-(morpholine-4-sulfonyl)phenyl]-2-nitrobenzamide

Formula: C19H21N3O8S

SMILES: COC1=CC(C(=O)NC2=CC=C(C=C2)S(=O)(=O)N2CCOCC2)=C(C=C1OC)[N+]([O-])=O

IUPAC: 4,5-dimethoxy-N-[4-(morpholine-4-sulfonyl)phenyl]-2-nitrobenzamide

InChI: InChI=1S/C19H21N3O8S/c1-28-17-11-15(16(22(24)25)12-18(17)29-2)19(23)20-13-3-5-14(6-4-13)31(26,27)21-7-9-30-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)

Composition: C (50.55%), H (4.69%), N (9.31%), O (28.35%), S (7.10%)

Molar Mass: 451.45

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	451.104935822
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	PJGZKDNIXFEUTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.86
Topological Polar Surface Area	137.31
Polarizability	42.64
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00