| CAS Number | 325745-59-3 |
| Catalog Number | AG019H0W(AGN-PC-0WC59D) |
| Chemical Name | 3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide |
| IUPAC Name | 3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H13ClN2O3S/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,15H2,1H3 |
| InChI Key | KAJKBEQFFLXVHE-UHFFFAOYSA-N |
| MDL Number | MFCD02697467 |
| Molecular Formula | C13H13ClN2O3S |
| Molecular Weight | 312.7719 |
| SMILES | COC1=CC=C(NS(C2=CC(N)=C(Cl)C=C2)(=O)=O)C=C1 |
| Synonyms | 3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide,
3-amino-4-chloro-N-(4-methoxyphenyl)benzene-1-sulfonamide,
325745-59-3,
3-Amino-4-chloro-N-(4-methoxy-phenyl)-benzenesulfonamide,
3-AMINO-4-CHLORO-N-(4-METHOXYPHENYL)-BENZENESULFONAMIDE,
AC1MVX0P,
AC1Q4DGD,
SCHEMBL13577035,
CTK7A4952,
ZINC3885358,
AKOS000115617,
MCULE-6328978950,
NE12150,
AJ-47191,
EN300-02136,
ZINC03885358,
CID3690288,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.768g/mol |
| Monoisotopic Mass | 312.034g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number