| CAS Number | 500588-73-8 |
| Catalog Number | AG01DTSS(AGN-PC-0JP8F1) |
| Chemical Name | 4-bromo-N-butyl-N-phenylbenzene-1-sulfonamide |
| IUPAC Name | 4-bromo-N-butyl-N-phenylbenzenesulfonamide |
| InChI | InChI=1S/C16H18BrNO2S/c1-2-3-13-18(15-7-5-4-6-8-15)21(19,20)16-11-9-14(17)10-12-16/h4-12H,2-3,13H2,1H3 |
| InChI Key | AZAPBUVZNOWMDK-UHFFFAOYSA-N |
| MDL Number | MFCD07066026 |
| Molecular Formula | C16H18BrNO2S |
| Molecular Weight | 368.2886 |
| NSC Number | 143325 |
| SMILES | CCCCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 |
| Synonyms | 4-?Bromo-?N-?butyl-?N-?phenyl-Benzenesulfonamide,
500588-73-8,
NSC143325,
AC1L63TO,
ZINC1727214,
AKOS008941236,
NSC-143325,
4-bromo-N-butyl-N-phenylbenzenesulfonamide,
Benzenesulfonamide, 4-bromo-N-butyl-N-phenyl-,
CID285796,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.289g/mol |
| Monoisotopic Mass | 367.024g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number