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Home Sulfos Isoquinoline-5-sulfonyl chloride

Isoquinoline-5-sulfonyl chloride

CAS No.:
84468-15-5
Catalog Number:
AG008I27
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
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Product Description
Catalog Number:
AG008I27
Chemical Name:
Isoquinoline-5-sulfonyl chloride
CAS Number:
84468-15-5
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
MDL Number:
MFCD00270016
IUPAC Name:
isoquinoline-5-sulfonyl chloride
InChI:
InChI=1S/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChI Key:
WHIDHHUCCTYJKA-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1ccnc2
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Rationally designed PKA inhibitors for positron emission tomography: Synthesis and cerebral biodistribution of N-(2-(4-bromocinnamylamino)ethyl)-N-[11C]methyl-isoquinoline-5-sulfonamide. Bioorganic & medicinal chemistry 20080501
Properties