| CAS Number | 792954-01-9 |
| Catalog Number | AG00G3XH |
| Chemical Name | N-(4-Aminophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide |
| IUPAC Name | N-(4-aminophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| InChI | InChI=1S/C14H14N2O4S/c15-10-1-3-11(4-2-10)16-21(17,18)12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9,16H,7-8,15H2 |
| InChI Key | MRXWTLVVPGOSNX-UHFFFAOYSA-N |
| MDL Number | MFCD06362464 |
| Molecular Formula | C14H14N2O4S |
| Molecular Weight | 306.3370 |
| SMILES | O=S(C1=CC=C(OCCO2)C2=C1)(NC3=CC=C(N)C=C3)=O |
| Synonyms | N-(4-aminophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide,
792954-01-9,
AC1M8VXH,
AC1Q523Q,
CTK7D7715,
ZINC3426805,
AKOS008967649,
MCULE-2805909913,
NE32784,
EN300-10875,
SR-01000059679,
J-523036,
SR-01000059679-1,
Z57040481,
N-(4-Aminophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide,
ZINC03426805,
CID2546193,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.336g/mol |
| Monoisotopic Mass | 306.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number