| CAS Number | 84468-22-4 |
| Catalog Number | AG004S31(AGN-PC-00L2SO) |
| Chemical Name | N,N-dimethylisoquinoline-5-sulfonamide |
| 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 |
| MDL Number | MFCD14141185 |
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.2902 |
| SMILES | CN(S(C1=C2C(C=NC=C2)=CC=C1)(=O)=O)C |
| Synonyms | 84468-22-4,
N,N-Dimethylisoquinoline-5-sulfonamide,
5-Isoquinolinesulfonamide, N,N-dimethyl-,
SCHEMBL9016177,
CTK2I5654,
DTXSID20521005,
ZINC36662092,
AKOS010289969,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number