1-(4-methylbenzenesulfonyl)piperazine hydrochloride

1-(4-methylbenzenesulfonyl)piperazine hydrochloride

CAS: 856843-84-0

Formula: C11H17ClN2O2S

SMILES: Cl.CC1=CC=C(C=C1)S(=O)(=O)N1CCNCC1

IUPAC: 1-(4-methylbenzenesulfonyl)piperazine hydrochloride

InChI: InChI=1S/C11H16N2O2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

Composition: C (47.74%), H (6.19%), Cl (12.81%), N (10.12%), O (11.56%), S (11.58%)

Molar Mass: 276.78

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.0699267
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IMLDHDNEYHSNDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.81
Topological Polar Surface Area	49.41
Polarizability	25.53
Ring Count	2
Rotatable Bond Count	1

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