| CAS Number | 380569-55-1 |
| Catalog Number | AG00C6N7 |
| Chemical Name | 3-Amino-4-chloro-N-(4-iodophenyl)benzenesulfonamide |
| IUPAC Name | 3-amino-4-chloro-N-(4-iodophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H10ClIN2O2S/c13-11-6-5-10(7-12(11)15)19(17,18)16-9-3-1-8(14)2-4-9/h1-7,16H,15H2 |
| InChI Key | POOLQRHUSZNDDK-UHFFFAOYSA-N |
| MDL Number | MFCD03478177 |
| Molecular Formula | C12H10ClIN2O2S |
| Molecular Weight | 408.6425 |
| SMILES | O=S(C1=CC=C(Cl)C(N)=C1)(NC2=CC=C(I)C=C2)=O |
| Synonyms | 3-Amino-4-chloro-N-(4-iodo-phenyl)-benzenesulfonamide,
380569-55-1,
3-amino-4-chloro-N-(4-iodophenyl)benzene-1-sulfonamide,
3-amino-4-chloro-N-(4-iodophenyl)benzenesulfonamide,
AC1MWHAE,
AC1Q50ZV,
CTK7C3298,
ZINC3886111,
AKOS008967177,
MCULE-4622075533,
NE12482,
EN300-04662,
SR-01000033713,
J-511607,
SR-01000033713-1,
Z56836801,
ZINC03886111,
CID3749199,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.638g/mol |
| Monoisotopic Mass | 407.92g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number