5-(piperazine-1-sulfonyl)isoquinoline dihydrochloride

5-(piperazine-1-sulfonyl)isoquinoline dihydrochloride

CAS: 210297-47-5

Formula: C13H17Cl2N3O2S

SMILES: Cl.Cl.O=S(=O)(N1CCNCC1)C1=CC=CC2=CN=CC=C12

IUPAC: 5-(piperazine-1-sulfonyl)isoquinoline dihydrochloride

InChI: InChI=1S/C13H15N3O2S.2ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;;/h1-5,10,14H,6-9H2;2*1H

Composition: C (44.58%), H (4.89%), Cl (20.24%), N (12.00%), O (9.14%), S (9.15%)

Molar Mass: 350.26

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	349.0418534
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZKQAPKKKTQCVKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.06
Topological Polar Surface Area	62.3
Polarizability	30.37
Ring Count	3
Rotatable Bond Count	1

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