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84478-11-5 | 5-Isoquinolinesulfonamide,N-[2-(methylamino)ethyl]-
CAS No: 84478-11-5 Catalog No: AG00550B MDL No:
Product Description
Catalog Number:
AG00550B
Chemical Name:
5-Isoquinolinesulfonamide,N-[2-(methylamino)ethyl]-
CAS Number:
84478-11-5
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
IUPAC Name:
N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide
InChI:
InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
InChI Key:
PJWUXKNZVMEPPH-UHFFFAOYSA-N
SMILES:
CNCCNS(=O)(=O)c1cccc2c1ccnc2
EC Number:
617-573-3
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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