ethyl 2-[1-(3,4-dichlorobenzenesulfonyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(3,4-dichlorobenzenesulfonyl)-3-oxopiperazin-2-yl]acetate

CAS: 318469-55-5

Formula: C14H16Cl2N2O5S

SMILES: CCOC(=O)CC1N(CCNC1=O)S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1

IUPAC: ethyl 2-[1-(3,4-dichlorobenzenesulfonyl)-3-oxopiperazin-2-yl]acetate

InChI: InChI=1/C14H16Cl2N2O5S/c1-2-23-13(19)8-12-14(20)17-5-6-18(12)24(21,22)9-3-4-10(15)11(16)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)

Composition: C (42.54%), H (4.08%), Cl (17.94%), N (7.09%), O (20.24%), S (8.11%)

Molar Mass: 395.25

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	394.0156982
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NWUVTGDOPFQPAW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.5
Topological Polar Surface Area	92.78
Polarizability	35.62
Ring Count	2
Rotatable Bond Count	5

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