| CAS Number | 326866-52-8 |
| Catalog Number | AG019H16 |
| Chemical Name | 5-amino-N-(4-chlorophenyl)-2-methylbenzene-1-sulfonamide |
| IUPAC Name | 5-amino-N-(4-chlorophenyl)-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H13ClN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3 |
| InChI Key | HTJXMKQXEROSPA-UHFFFAOYSA-N |
| MDL Number | MFCD02702721 |
| Molecular Formula | C13H13ClN2O2S |
| Molecular Weight | 296.7725 |
| SMILES | CC1=C(S(NC2=CC=C(Cl)C=C2)(=O)=O)C=C(N)C=C1 |
| Synonyms | 5-amino-N-(4-chlorophenyl)-2-methylbenzene-1-sulfonamide,
326866-52-8,
5-Amino-N-(4-chloro-phenyl)-2-methyl-benzenesulfonamide,
AC1MVFSC,
AC1Q2M51,
SCHEMBL15647028,
CTK6H0660,
ZINC3885377,
AKOS000115637,
MCULE-2107330870,
NE12168,
EN300-02156,
5-amino-N-(4-chlorophenyl)-2-methylbenzenesulfonamide,
Z56782492,
ZINC03885377,
CID3682573,
|
| Complexity | 388 |
| 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