| CAS Number | 1187385-90-5 |
| Catalog Number | AG003K2C(AGN-PC-07XU8V) |
| Chemical Name | N-Cyclohexyl 4-(4-bromopyrazol-1-yl)benzenesulfonamide |
| IUPAC Name | 4-(4-bromopyrazol-1-yl)-N-cyclohexylbenzenesulfonamide |
| InChI | InChI=1S/C15H18BrN3O2S/c16-12-10-17-19(11-12)14-6-8-15(9-7-14)22(20,21)18-13-4-2-1-3-5-13/h6-11,13,18H,1-5H2 |
| InChI Key | VLRCQLORLAXKGT-UHFFFAOYSA-N |
| MDL Number | MFCD12546462 |
| Molecular Formula | C15H18BrN3O2S |
| Molecular Weight | 384.2913 |
| SMILES | BrC=1C=NN(C1)C1=CC=C(C=C1)S(=O)(=O)NC1CCCCC1 |
| Synonyms | 1187385-90-5,
4-(4-Bromo-1H-pyrazol-1-yl)-N-cyclohexylbenzenesulfonamide,
N-CYCLOHEXYL 4-(4-BROMOPYRAZOL-1-YL)BENZENESULFONAMIDE,
C15H18BrN3O2S,
ACMC-2099yw,
CTK4B0839,
DTXSID10674918,
ANW-17190,
MFCD12546462,
ZINC38537350,
AKOS015835060,
AJ-96085,
AX8230440,
ST2405367,
TR-034257,
Z7970,
A-5277,
I01-10883,
N-Cyclohexyl4-(4-bromopyrazol-1-yl)benzenesulfonamide,
4-(4-Bromo-1H-pyrazol-1-yl)-N-cyclohexylbenzene-1-sulfonamide,
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| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.292g/mol |
| Monoisotopic Mass | 383.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number