methyl 2-[1-(4-fluorobenzenesulfonyl)piperidine-4-amido]benzoate

methyl 2-[1-(4-fluorobenzenesulfonyl)piperidine-4-amido]benzoate

Formula: C20H21FN2O5S

SMILES: COC(=O)C1=CC=CC=C1NC(=O)C1CCN(CC1)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: methyl 2-[1-(4-fluorobenzenesulfonyl)piperidine-4-amido]benzoate

InChI: InChI=1S/C20H21FN2O5S/c1-28-20(25)17-4-2-3-5-18(17)22-19(24)14-10-12-23(13-11-14)29(26,27)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,24)

Composition: C (57.13%), H (5.03%), F (4.52%), N (6.66%), O (19.03%), S (7.63%)

Molar Mass: 420.46

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.115521121
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JBTUQPOLZPOSES-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.91
Topological Polar Surface Area	92.78
Polarizability	40.9
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21FN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00