1-(3-bromo-4-methoxybenzenesulfonyl)piperidine

1-(3-bromo-4-methoxybenzenesulfonyl)piperidine

Formula: C12H16BrNO3S

SMILES: COC1=CC=C(C=C1Br)S(=O)(=O)N1CCCCC1

IUPAC: 1-(3-bromo-4-methoxybenzenesulfonyl)piperidine

InChI: InChI=1S/C12H16BrNO3S/c1-17-12-6-5-10(9-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3

Composition: C (43.12%), H (4.83%), Br (23.91%), N (4.19%), O (14.36%), S (9.59%)

Molar Mass: 334.23

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	333.003428
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DUKJJOCLCGFYPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.24
Topological Polar Surface Area	46.61
Polarizability	29.49
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16BrNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00