1-(4-chlorobenzenesulfonyl)-4-{[(4-chlorophenyl)sulfanyl]methyl}piperidin-4-ol

1-(4-chlorobenzenesulfonyl)-4-{[(4-chlorophenyl)sulfanyl]methyl}piperidin-4-ol

CAS: 478041-58-6

Formula: C18H19Cl2NO3S2

SMILES: OC1(CSC2=CC=C(Cl)C=C2)CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: 1-(4-chlorobenzenesulfonyl)-4-{[(4-chlorophenyl)sulfanyl]methyl}piperidin-4-ol

InChI: InChI=1S/C18H19Cl2NO3S2/c19-14-1-5-16(6-2-14)25-13-18(22)9-11-21(12-10-18)26(23,24)17-7-3-15(20)4-8-17/h1-8,22H,9-13H2

Composition: C (50.00%), H (4.43%), Cl (16.40%), N (3.24%), O (11.10%), S (14.83%)

Molar Mass: 432.37

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.0183412
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WVRHLJJSARPAIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.28
Topological Polar Surface Area	57.61
Polarizability	42.97
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	478041-58-6		$51.35-$86.31$51.35$63.37$86.31