1-{4-[(3,4-dichlorobenzenesulfonyl)methyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one

1-{4-[(3,4-dichlorobenzenesulfonyl)methyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one

CAS: 865659-58-1

Formula: C17H23Cl2NO4S

SMILES: CC(C)(C)C(=O)N1CCC(O)(CS(=O)(=O)C2=CC(Cl)=C(Cl)C=C2)CC1

IUPAC: 1-{4-[(3,4-dichlorobenzenesulfonyl)methyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one

InChI: InChI=1S/C17H23Cl2NO4S/c1-16(2,3)15(21)20-8-6-17(22,7-9-20)11-25(23,24)12-4-5-13(18)14(19)10-12/h4-5,10,22H,6-9,11H2,1-3H3

Composition: C (50.00%), H (5.68%), Cl (17.36%), N (3.43%), O (15.67%), S (7.85%)

Molar Mass: 408.33

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	407.0724848
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	TZJJLVAVMGIXHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.78
Topological Polar Surface Area	74.68
Polarizability	39.71
Ring Count	2
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	865659-58-1		$51.35-$86.31$51.35$63.37$86.31