| CAS Number | 1094691-00-5 |
| Catalog Number | AG01AB7T |
| Chemical Name | 3-Chloro-4-cyanobenzene-1-sulfonamide |
| IUPAC Name | 3-chloro-4-cyanobenzenesulfonamide |
| InChI | InChI=1S/C7H5ClN2O2S/c8-7-3-6(13(10,11)12)2-1-5(7)4-9/h1-3H,(H2,10,11,12) |
| InChI Key | YHHGTFVINDCIIQ-UHFFFAOYSA-N |
| MDL Number | MFCD11212967 |
| Molecular Formula | C7H5ClN2O2S |
| Molecular Weight | 216.6448 |
| SMILES | NS(C1=CC(Cl)=C(C#N)C=C1)(=O)=O |
| Synonyms | 3-chloro-4-cyanobenzene-1-sulfonamide,
1094691-00-5,
EN300-70715,
AC1Q559F,
3-chloro-4-cyanobenzenesulfonamide,
ZINC36948427,
AKOS009345534,
FCH4808022,
MCULE-2988449186,
NE17528,
BBV-5128543,
Z737930430,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.639g/mol |
| Monoisotopic Mass | 215.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number