| CAS Number | 1037132-84-5 |
| Catalog Number | AG019VVC |
| Chemical Name | 4-Amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide |
| IUPAC Name | 4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H10ClFN2O2S/c13-11-7-9(3-6-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2 |
| InChI Key | LXJPXGCCEBXVPZ-UHFFFAOYSA-N |
| MDL Number | MFCD12559329 |
| Molecular Formula | C12H10ClFN2O2S |
| Molecular Weight | 300.7364 |
| SMILES | NC1=CC=C(S(NC2=CC(Cl)=C(F)C=C2)(=O)=O)C=C1 |
| Synonyms | 1037132-84-5,
4-amino-N-(3-chloro-4-fluorophenyl)benzene-1-sulfonamide,
4-amino-N-(3-chloro-4-fluorophenyl)benzenesulfonamide,
AC1Q51X4,
CTK7D7893,
ZINC20429642,
AKOS009265704,
MCULE-9255602101,
NE19360,
EN300-49622,
4-Amino-N-(-3-chloro-4-fluorophenyl)benzene sulfonamide,
Z607822598,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.732g/mol |
| Monoisotopic Mass | 300.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number