4-methoxy-N-[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]-3-nitrobenzamide

4-methoxy-N-[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]-3-nitrobenzamide

Formula: C20H23N3O6S

SMILES: COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCC(C)CC1

IUPAC: 4-methoxy-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-3-nitrobenzamide

InChI: InChI=1S/C20H23N3O6S/c1-14-9-11-22(12-10-14)30(27,28)17-6-4-16(5-7-17)21-20(24)15-3-8-19(29-2)18(13-15)23(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)

Composition: C (55.42%), H (5.35%), N (9.69%), O (22.15%), S (7.40%)

Molar Mass: 433.48

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	433.130756647
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZVWDSRZBRHFEKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.02
Topological Polar Surface Area	118.85
Polarizability	42.99
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00