| CAS Number | 881474-11-9 |
| Catalog Number | AG01B192 |
| Chemical Name | 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonamide |
| IUPAC Name | 2-methyl-1,3-dioxoisoindole-5-sulfonamide |
| InChI | InChI=1S/C9H8N2O4S/c1-11-8(12)6-3-2-5(16(10,14)15)4-7(6)9(11)13/h2-4H,1H3,(H2,10,14,15) |
| InChI Key | DTORYAQGVDUHIX-UHFFFAOYSA-N |
| MDL Number | MFCD06435359 |
| Molecular Formula | C9H8N2O4S |
| Molecular Weight | 240.2358 |
| SMILES | CN1C(=O)C2=C(C=CC(S(N)(=O)=O)=C2)C1=O |
| Synonyms | 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonamide,
881474-11-9,
AC1LVDWC,
ZINC1926447,
AKOS009037027,
MCULE-2780853602,
NE34248,
2-methyl-1,3-dioxoisoindole-5-sulfonamide,
Z111457042,
ZINC01926447,
CID1653064,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.233g/mol |
| Monoisotopic Mass | 240.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number