| CAS Number | 454694-65-6 |
| Catalog Number | AG01A4KN(AGN-PC-0CQPQJ) |
| Chemical Name | 4-(4-bromophenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-(4-bromophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H10BrNO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16) |
| InChI Key | MPOYZWHWJKUBCW-UHFFFAOYSA-N |
| MDL Number | MFCD20230139 |
| Molecular Formula | C12H10BrNO2S |
| Molecular Weight | 312.1823 |
| SMILES | NS(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)(=O)=O |
| Synonyms | 454694-65-6,
4-(4-bromophenyl)benzene-1-sulfonamide,
4'-bromo-[1,1'-biphenyl]-4-sulfonamide,
CTK1C7685,
DTXSID10730967,
ZINC90225763,
AKOS030533769,
MCULE-8199144749,
NE31343,
4'-Bromo[1,1'-biphenyl]-4-sulfonamide,
PD-0408208,
[1,1'-Biphenyl]-4-sulfonamide, 4'-bromo-,
Z1556064970,
4-(4-bromophenyl)benzenesulfonamide,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.181g/mol |
| Monoisotopic Mass | 310.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number