| CAS Number | 109568-85-6 |
| Catalog Number | AG00HBJA(AGN-PC-0WR4GG) |
| Chemical Name | 3-Amino-4-hydroxy-N-(2-methoxy-phenyl)-benzenesulfonamide |
| IUPAC Name | 3-amino-4-hydroxy-N-(2-methoxyphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H14N2O4S/c1-19-13-5-3-2-4-11(13)15-20(17,18)9-6-7-12(16)10(14)8-9/h2-8,15-16H,14H2,1H3 |
| InChI Key | UKIWFDBGHDSEIW-UHFFFAOYSA-N |
| MDL Number | MFCD02704606 |
| Molecular Formula | C13H14N2O4S |
| Molecular Weight | 294.3263 |
| SMILES | COC1=C(NS(C2=CC(N)=C(O)C=C2)(=O)=O)C=CC=C1 |
| Synonyms | 109568-85-6,
3-Amino-4-hydroxy-N-(2-methoxy-phenyl)-benzenesulfonamide,
3-amino-4-hydroxy-N-(2-methoxyphenyl)benzene-1-sulfonamide,
AC1MYGAF,
AC1Q4EM6,
CTK7B1570,
ZINC3885412,
MFCD02704606,
AKOS000115534,
MCULE-7410571310,
NE12178,
EN300-02191,
Z56785472,
3-amino-4-hydroxy-N-(2-methoxyphenyl)benzenesulfonamide,
ZINC03885412,
CID3856224,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.325g/mol |
| Monoisotopic Mass | 294.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number