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84468-22-4 | 5-Isoquinolinesulfonamide, N,N-dimethyl-
CAS No: 84468-22-4 Catalog No: AG004S31 MDL No:MFCD14141185
Product Description
Catalog Number:
AG004S31
Chemical Name:
5-Isoquinolinesulfonamide, N,N-dimethyl-
CAS Number:
84468-22-4
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD14141185
IUPAC Name:
N,N-dimethylisoquinoline-5-sulfonamide
InChI:
InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3
InChI Key:
MRHJXMWWAQWJDD-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1cccc2c1ccnc2)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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