methyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

methyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

Formula: C13H16BrNO4S

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

IUPAC: methyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

InChI: InChI=1S/C13H16BrNO4S/c1-19-13(16)10-6-8-15(9-7-10)20(17,18)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3

Composition: C (43.11%), H (4.45%), Br (22.06%), N (3.87%), O (17.67%), S (8.85%)

Molar Mass: 362.24

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	360.998342
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BAENHUSJFQHFOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.78
Topological Polar Surface Area	63.68
Polarizability	31.48
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16BrNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00