1-[(3,4-dichlorophenyl)methanesulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methanesulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

Formula: C20H21Cl2N3O5S

SMILES: CC1=CC=C(C=C1NC(=O)C1CCN(CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)[N+]([O-])=O

IUPAC: 1-[(3,4-dichlorophenyl)methanesulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

InChI: InChI=1S/C20H21Cl2N3O5S/c1-13-2-4-16(25(27)28)11-19(13)23-20(26)15-6-8-24(9-7-15)31(29,30)12-14-3-5-17(21)18(22)10-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,26)

Composition: C (49.39%), H (4.35%), Cl (14.58%), N (8.64%), O (16.45%), S (6.59%)

Molar Mass: 486.36

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	485.0578974
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UIIIZCMYBYLPIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.23
Topological Polar Surface Area	109.62
Polarizability	46.14
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21Cl2N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00