| CAS Number | 1187385-75-6 |
| Catalog Number | AG003K2E(AGN-PC-07XU8X) |
| Chemical Name | N-Isopropyl 4-(4-bromopyrazol-1-yl)benzenesulfonamide |
| IUPAC Name | 4-(4-bromopyrazol-1-yl)-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C12H14BrN3O2S/c1-9(2)15-19(17,18)12-5-3-11(4-6-12)16-8-10(13)7-14-16/h3-9,15H,1-2H3 |
| InChI Key | XAAHZRFTZSESKU-UHFFFAOYSA-N |
| MDL Number | MFCD12756457 |
| Molecular Formula | C12H14BrN3O2S |
| Molecular Weight | 344.2275 |
| SMILES | O=S(C1=CC=C(N2N=CC(Br)=C2)C=C1)(NC(C)C)=O |
| Synonyms | 1187385-75-6,
4-(4-Bromo-1H-pyrazol-1-yl)-N-isopropylbenzenesulfonamide,
N-ISOPROPYL 4-(4-BROMOPYRAZOL-1-YL)BENZENESULFONAMIDE,
ACMC-2099yi,
CTK4B0825,
DTXSID80674920,
ANW-17176,
MFCD12756457,
ZINC38537354,
AKOS015835050,
AJ-96087,
AX8230494,
ST2405368,
TR-034242,
Z7957,
A-5263,
I01-10881,
N-Isopropyl4-(4-bromopyrazol-1-yl)benzenesulfonamide,
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbenzenesulfonamide,
4-(4-Bromo-1H-pyrazol-1-yl)-N-(propan-2-yl)benzene-1-sulfonamide,
C12H14BrN3O2S,
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| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.227g/mol |
| Monoisotopic Mass | 342.999g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number