| SpectraBase Spectrum ID |
21E2H44pLIv |
| Name |
4-Bromo-N-{4-[(4-chloroanilino)sulfonyl]phenyl}-1-methyl-1H-pyrazole-3-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.965852198 u |
| Formula |
C17H14BrClN4O3S |
| InChI |
InChI=1S/C17H14BrClN4O3S/c1-23-10-15(18)16(21-23)17(24)20-12-6-8-14(9-7-12)27(25,26)22-13-4-2-11(19)3-5-13/h2-10,22H,1H3,(H,20,24) |
| InChIKey |
YRKDFZSSNKKJEO-UHFFFAOYSA-N |
| Molecular Weight |
469.741 g/mol |
| SMILES |
N(C=1C=CC(S(NC=2C=CC(Cl)=CC2)(=O)=O)=CC1)C(C=1C(=CN(N1)C)Br)=O |
![4-bromo-N-{4-[(4-chloroanilino)sulfonyl]phenyl}-1-methyl-1H-pyrazole-3-carboxamide](/api/spectrum/21E2H44pLIv/structure.png?h=300&w=458 "4-bromo-N-{4-[(4-chloroanilino)sulfonyl]phenyl}-1-methyl-1H-pyrazole-3-carboxamide")
