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5-(piperazine-1-sulfonyl)isoquinoline

5-(piperazine-1-sulfonyl)isoquinoline

CAS: 84468-24-6

Formula: C13H15N3O2S

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

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

InChI: InChI=1S/C13H15N3O2S/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

Composition: C (56.30%), H (5.45%), N (15.15%), O (11.54%), S (11.56%)

Molar Mass: 277.34

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 277.088497909
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UPTYCYWTFGTCCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.06
Topological Polar Surface Area 62.3
Polarizability 30.38
Ring Count 3
Rotatable Bond Count 1

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