N-(2,5-dimethylphenyl)-3-[N'-(2-nitrobenzenesulfonyl)hydrazinecarbonyl]propanamide

N-(2,5-dimethylphenyl)-3-[N'-(2-nitrobenzenesulfonyl)hydrazinecarbonyl]propanamide

Formula: C18H20N4O6S

SMILES: CC1=CC=C(C)C(NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+]([O-])=O)=C1

IUPAC: N-(2,5-dimethylphenyl)-3-[N'-(2-nitrobenzenesulfonyl)hydrazinecarbonyl]propanamide

InChI: InChI=1S/C18H20N4O6S/c1-12-7-8-13(2)14(11-12)19-17(23)9-10-18(24)20-21-29(27,28)16-6-4-3-5-15(16)22(25)26/h3-8,11,21H,9-10H2,1-2H3,(H,19,23)(H,20,24)

Composition: C (51.42%), H (4.79%), N (13.33%), O (22.83%), S (7.63%)

Molar Mass: 420.44

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.110355554
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	PZBQGVGZQFGDJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.66
Topological Polar Surface Area	147.51
Polarizability	40.5
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N4O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00