tert-butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate

tert-butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate

CAS: 226398-62-5

Formula: C16H22BrNO4S

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: tert-butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate

InChI: InChI=1S/C16H22BrNO4S/c1-16(2,3)22-15(19)18-10-8-14(9-11-18)23(20,21)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3

Composition: C (47.53%), H (5.48%), Br (19.76%), N (3.46%), O (15.83%), S (7.93%)

Molar Mass: 404.32

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	403.045292
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YRZKFSDUCCEPDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.67
Topological Polar Surface Area	63.68
Polarizability	36.92
Ring Count	2
Rotatable Bond Count	4

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