| CAS Number | 1152880-25-5 |
| Catalog Number | AG01A084 |
| Chemical Name | 4-Chloro-3-cyanobenzenesulfonamide |
| IUPAC Name | 4-chloro-3-cyanobenzenesulfonamide |
| InChI | InChI=1S/C7H5ClN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12) |
| InChI Key | HUDNLOHBEIVPBR-UHFFFAOYSA-N |
| MDL Number | MFCD11106120 |
| Molecular Formula | C7H5ClN2O2S |
| Molecular Weight | 216.6448 |
| SMILES | NS(C1=CC(C#N)=C(Cl)C=C1)(=O)=O |
| Synonyms | 4-chloro-3-cyanobenzene-1-sulfonamide,
4-chloro-3-cyanobenzenesulfonamide,
1152880-25-5,
4-Chloro-3-cyano-benzenesulfonamide,
FCH014396,
MFCD11106120,
ZINC34977918,
AKOS009345732,
MCULE-9566559255,
NE61065,
BBV-5128546,
EN300-109075,
Z737930434,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number