ethyl 1-(4-chlorobenzenesulfonyl)piperidine-4-carboxylate

ethyl 1-(4-chlorobenzenesulfonyl)piperidine-4-carboxylate

CAS: 313685-03-9

Formula: C14H18ClNO4S

SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: ethyl 1-(4-chlorobenzenesulfonyl)piperidine-4-carboxylate

InChI: InChI=1S/C14H18ClNO4S/c1-2-20-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3

Composition: C (50.68%), H (5.47%), Cl (10.68%), N (4.22%), O (19.29%), S (9.66%)

Molar Mass: 331.81

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.0645069
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QMZUEYTVCVLRFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.71
Topological Polar Surface Area	63.68
Polarizability	32.33
Ring Count	2
Rotatable Bond Count	4

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