| CAS Number | 326871-18-5 |
| Catalog Number | AG00C6OY |
| Chemical Name | 5-AMINO-N-(3-CHLORO-PHENYL)-2-METHYL-BENZENESULFONAMIDE |
| IUPAC Name | 5-amino-N-(3-chlorophenyl)-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H13ClN2O2S/c1-9-5-6-11(15)8-13(9)19(17,18)16-12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3 |
| InChI Key | RRGXVVNGZBFMBV-UHFFFAOYSA-N |
| MDL Number | MFCD02703353 |
| Molecular Formula | C13H13ClN2O2S |
| Molecular Weight | 296.7725 |
| SMILES | NC=1C=CC(=C(C1)S(=O)(=O)NC1=CC(=CC=C1)Cl)C |
| Synonyms | 5-Amino-N-(3-chloro-phenyl)-2-methyl-benzenesulfonamide,
326871-18-5,
5-amino-N-(3-chlorophenyl)-2-methylbenzenesulfonamide,
5-amino-N-(3-chlorophenyl)-2-methylbenzene-1-sulfonamide,
AC1MTF4E,
AC1Q2M54,
SCHEMBL15647514,
CTK7D6992,
ZINC3885346,
AKOS000115632,
MCULE-5052976924,
NE28031,
EN300-02124,
J-516742,
Z56783266,
ZINC03885346,
CID3574568,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.769g/mol |
| Monoisotopic Mass | 296.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number