| CAS Number | 926273-24-7 |
| Catalog Number | AG019MA9 |
| Chemical Name | 2-(hydroxymethyl)-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide |
| IUPAC Name | 2-(hydroxymethyl)-N,N-dimethyl-3H-benzimidazole-5-sulfonamide |
| InChI | InChI=1S/C10H13N3O3S/c1-13(2)17(15,16)7-3-4-8-9(5-7)12-10(6-14)11-8/h3-5,14H,6H2,1-2H3,(H,11,12) |
| InChI Key | WYMPQKYRTZUHPS-UHFFFAOYSA-N |
| MDL Number | MFCD08443572 |
| Molecular Formula | C10H13N3O3S |
| Molecular Weight | 255.2935 |
| SMILES | CN(S(C1=CC2=C(NC(=N2)CO)C=C1)(=O)=O)C |
| Synonyms | 2-(hydroxymethyl)-N,N-dimethyl-1H-benzimidazole-5-sulfonamide,
2-(hydroxymethyl)-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide,
926273-24-7,
AC1Q3X25,
CTK8A2109,
CTK8F3654,
ZINC12480660,
AKOS000126891,
MCULE-4151611408,
NE28484,
EN300-35583,
2-(hydroxymethyl)-N,N-dimethyl-1H-benzo[d]imidazole-5-sulfonamide,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.292g/mol |
| Monoisotopic Mass | 255.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number