| CAS Number | 2044702-83-0 |
| Catalog Number | AG01EN2O(AGN-PC-0WNGHV) |
| Chemical Name | tert-Butyl (4-(4-bromophenylsulfonamido)-4-oxobutyl)carbamate |
| IUPAC Name | tert-butyl N-[4-[(4-bromophenyl)sulfonylamino]-4-oxobutyl]carbamate |
| InChI | InChI=1S/C15H21BrN2O5S/c1-15(2,3)23-14(20)17-10-4-5-13(19)18-24(21,22)12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | CEBNUHFDRRAXMB-UHFFFAOYSA-N |
| MDL Number | MFCD30536251 |
| Molecular Formula | C15H21BrN2O5S |
| Molecular Weight | 421.3066 |
| SMILES | CC(C)(C)OC(=O)NCCCC(=O)NS(=O)(=O)C1=CC=C(Br)C=C1 |
| Synonyms | tert-Butyl (4-(4-bromophenylsulfonamido)-4-oxobutyl)carbamate,
2044702-83-0,
KS-00000TZA,
ZINC585661985,
AK554535,
DS-19632,
N/A,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.03546g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.3g/mol |
| Monoisotopic Mass | 420.03546g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number