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126234-76-2 | 5-Isoquinolinesulfonamide, N-(4-piperidinylmethyl)-
CAS No: 126234-76-2 Catalog No: AG000SEC MDL No:
Product Description
Catalog Number:
AG000SEC
Chemical Name:
5-Isoquinolinesulfonamide, N-(4-piperidinylmethyl)-
CAS Number:
126234-76-2
Molecular Formula:
C15H19N3O2S
Molecular Weight:
305.3953
IUPAC Name:
N-(piperidin-4-ylmethyl)isoquinoline-5-sulfonamide
InChI:
InChI=1S/C15H19N3O2S/c19-21(20,18-10-12-4-7-16-8-5-12)15-3-1-2-13-11-17-9-6-14(13)15/h1-3,6,9,11-12,16,18H,4-5,7-8,10H2
InChI Key:
KPMYQKZRZOAQQG-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)NCC1CCNCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.396g/mol
Monoisotopic Mass:
305.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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