| CAS Number | 1153247-92-7 |
| Catalog Number | AG019UQG |
| Chemical Name | 1,2,3,4-Tetrahydroisoquinoline-5-sulfonamide |
| IUPAC Name | 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide |
| InChI | InChI=1S/C9H12N2O2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2,(H2,10,12,13) |
| InChI Key | QQWHCIWCDWZUQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12195021 |
| Molecular Formula | C9H12N2O2S |
| Molecular Weight | 212.2688 |
| SMILES | NS(C1=C2C(CNCC2)=CC=C1)(=O)=O |
| Synonyms | 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide,
1153247-92-7,
SCHEMBL5408570,
ZINC35732534,
AKOS009556697,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.267g/mol |
| Monoisotopic Mass | 212.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number