1-(4-bromobenzene-1-sulfonyl)-N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
1-(4-bromobenzene-1-sulfonyl)-N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
1-(4-bromobenzene-1-sulfonyl)-N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
Compound characteristics
Compound ID: | G680-0554 |
Compound Name: | 1-(4-bromobenzene-1-sulfonyl)-N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide |
Molecular Weight: | 450.37 |
Molecular Formula: | C15 H20 Br N3 O4 S2 |
Smiles: | CCN(CC)S(c1c(C)nn(c1C)S(c1ccc(cc1)[Br])(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3561 |
logD: | 2.3561 |
logSw: | -2.5087 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 71.955 |
InChI Key: | SXMSNGYWMGLSEH-UHFFFAOYSA-N |