1-benzyl-4-(4-bromobenzenesulfonyl)piperazine

1-benzyl-4-(4-bromobenzenesulfonyl)piperazine

CAS: 349398-79-4

Formula: C17H19BrN2O2S

SMILES: BrC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-benzyl-4-(4-bromobenzenesulfonyl)piperazine

InChI: InChI=1S/C17H19BrN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2

Composition: C (51.65%), H (4.84%), Br (20.21%), N (7.09%), O (8.09%), S (8.11%)

Molar Mass: 395.32

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	394.035062
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GETTWQGXWARMQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.29
Topological Polar Surface Area	40.62
Polarizability	37.93
Ring Count	3
Rotatable Bond Count	3

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