1-(5-chloro-2-methoxybenzenesulfonyl)piperazine hydrochloride

1-(5-chloro-2-methoxybenzenesulfonyl)piperazine hydrochloride

CAS: 1185299-64-2

Formula: C11H16Cl2N2O3S

SMILES: Cl.COC1=C(C=C(Cl)C=C1)S(=O)(=O)N1CCNCC1

IUPAC: 1-(5-chloro-2-methoxybenzenesulfonyl)piperazine hydrochloride

InChI: InChI=1S/C11H15ClN2O3S.ClH/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H

Composition: C (40.38%), H (4.93%), Cl (21.67%), N (8.56%), O (14.67%), S (9.80%)

Molar Mass: 327.22

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.025869
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SZDDFDUHXFLUIU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.03
Topological Polar Surface Area	58.64
Polarizability	28.23
Ring Count	2
Rotatable Bond Count	2

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