| CAS Number | 328028-32-6 |
| Catalog Number | AG019H0Q |
| Chemical Name | 3-amino-N-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C13H12F2N2O2S2/c14-13(15)20-11-6-4-10(5-7-11)17-21(18,19)12-3-1-2-9(16)8-12/h1-8,13,17H,16H2 |
| InChI Key | CYPISBFZHWKBGV-UHFFFAOYSA-N |
| MDL Number | MFCD02704628 |
| Molecular Formula | C13H12F2N2O2S2 |
| Molecular Weight | 330.3734 |
| SMILES | FC(Sc1ccc(cc1)NS(=O)(=O)c1cccc(c1)N)F |
| Synonyms | 3-amino-N-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide,
328028-32-6,
3-Amino-N-(4-difluoromethylsulfanyl-phenyl)-benzenesulfonamide,
AC1MYJUX,
MLS000773560,
AC1Q527G,
CHEMBL1541664,
CTK7B7657,
HMS2758M21,
ZINC3885349,
AKOS000115641,
MCULE-2070679172,
NE12189,
SMR000364269,
EN300-02127,
SR-01000028564,
SR-01000028564-1,
Z56785503,
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide,
ZINC03885349,
CID3832978,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.368g/mol |
| Monoisotopic Mass | 330.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number