| CAS Number | 1988004-17-6 |
| Catalog Number | AG019ERA |
| Chemical Name | N-(2-chloro-4-iodophenyl)-4-methyl-benzenesulfonamide |
| IUPAC Name | N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H11ClINO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(15)8-12(13)14/h2-8,16H,1H3 |
| InChI Key | FDVRVTLILGSTHQ-UHFFFAOYSA-N |
| MDL Number | MFCD31652795 |
| Molecular Formula | C13H11ClINO2S |
| Molecular Weight | 407.6544 |
| SMILES | ClC1=C(C=CC(=C1)I)NS(=O)(=O)C1=CC=C(C=C1)C |
| Synonyms | 1988004-17-6,
N-(2-chloro-4-iodophenyl)-4-methyl-benzenesulfonamide,
N-(2-Chloro-4-iodophenyl)-4-methylbenzenesulfonamide,
CS-0059910,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.65g/mol |
| Monoisotopic Mass | 406.924g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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