| CAS Number | 258856-32-5 |
| Catalog Number | AG01ACX3(AGN-PC-01Z0KW) |
| Chemical Name | 3-chloro-N-[(4-nitrophenyl)methyl]propane-1-sulfonamide |
| IUPAC Name | 3-chloro-N-[(4-nitrophenyl)methyl]propane-1-sulfonamide |
| InChI | InChI=1S/C10H13ClN2O4S/c11-6-1-7-18(16,17)12-8-9-2-4-10(5-3-9)13(14)15/h2-5,12H,1,6-8H2 |
| InChI Key | VSXGWASSFUCNRY-UHFFFAOYSA-N |
| MDL Number | MFCD13158046 |
| Molecular Formula | C10H13ClN2O4S |
| Molecular Weight | 292.7392 |
| SMILES | [O-][N+](C1=CC=C(CNS(CCCCl)(=O)=O)C=C1)=O |
| Synonyms | 3-chloro-N-[(4-nitrophenyl)methyl]propane-1-sulfonamide,
258856-32-5,
SCHEMBL7223669,
ZINC37668710,
NE20760,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.734g/mol |
| Monoisotopic Mass | 292.028g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number