| CAS Number | 380344-09-2 |
| Catalog Number | AG019H3N |
| Chemical Name | 3,4-diamino-N-(4-methoxyphenyl)benzene-1-sulfonamide |
| IUPAC Name | 3,4-diamino-N-(4-methoxyphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H15N3O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-7-12(14)13(15)8-11/h2-8,16H,14-15H2,1H3 |
| InChI Key | VLJRZEZDHGBSPU-UHFFFAOYSA-N |
| MDL Number | MFCD02725264 |
| Molecular Formula | C13H15N3O3S |
| Molecular Weight | 293.3415 |
| SMILES | COC1=CC=C(NS(C2=CC(N)=C(N)C=C2)(=O)=O)C=C1 |
| Synonyms | 3,4-diamino-N-(4-methoxyphenyl)benzene-1-sulfonamide,
380344-09-2,
3,4-Diamino-N-(4-methoxy-phenyl)-benzenesulfonamide,
AC1MVHVW,
AC1Q4DGE,
CTK7A4953,
ZINC3885500,
AKOS000115484,
MCULE-6533015729,
NE12270,
EN300-02430,
3,4-diamino-N-(4-methoxyphenyl)benzenesulfonamide,
Z56821813,
ZINC03885500,
CID3733147,
|
| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.341g/mol |
| Monoisotopic Mass | 293.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number