1-(5-bromo-4-methanesulfonyl-2-methylphenyl)piperidine-4-carboxamide

1-(5-bromo-4-methanesulfonyl-2-methylphenyl)piperidine-4-carboxamide

CAS: 1000018-34-7

Formula: C14H19BrN2O3S

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

IUPAC: 1-(5-bromo-4-methanesulfonyl-2-methylphenyl)piperidine-4-carboxamide

InChI: InChI=1S/C14H19BrN2O3S/c1-9-7-13(21(2,19)20)11(15)8-12(9)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)

Composition: C (44.81%), H (5.10%), Br (21.29%), N (7.46%), O (12.79%), S (8.54%)

Molar Mass: 375.28

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	374.029977
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GBNWGFUNIFCJNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.36
Topological Polar Surface Area	80.47
Polarizability	33.64
Ring Count	2
Rotatable Bond Count	3

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