2-{2-[N-(3-nitrophenyl)methanesulfonamido]acetamido}-N-(pyridin-3-ylmethyl)benzamide

2-{2-[N-(3-nitrophenyl)methanesulfonamido]acetamido}-N-(pyridin-3-ylmethyl)benzamide

Formula: C22H21N5O6S

SMILES: CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC1=CC=CN=C1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 2-{2-[N-(3-nitrophenyl)methanesulfonamido]acetamido}-N-[(pyridin-3-yl)methyl]benzamide

InChI: InChI=1S/C22H21N5O6S/c1-34(32,33)26(17-7-4-8-18(12-17)27(30)31)15-21(28)25-20-10-3-2-9-19(20)22(29)24-14-16-6-5-11-23-13-16/h2-13H,14-15H2,1H3,(H,24,29)(H,25,28)

Composition: C (54.65%), H (4.38%), N (14.49%), O (19.85%), S (6.63%)

Molar Mass: 483.5

Atom Count: 55

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	483.12125459
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	BFCALCURSZYVGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.75
Topological Polar Surface Area	151.61
Polarizability	47.28
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21N5O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00