Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 108966-71-8 | MDL No. : | MFCD00728800 |
Formula : | C6H5F2NO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VFVVRYNJTGHAIE-UHFFFAOYSA-N |
M.W : | 193.17 | Pubchem ID : | 822865 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 37.35 |
TPSA : | 68.54 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.78 cm/s |
Log Po/w (iLOGP) : | 0.62 |
Log Po/w (XLOGP3) : | 0.98 |
Log Po/w (WLOGP) : | 2.53 |
Log Po/w (MLOGP) : | 1.17 |
Log Po/w (SILICOS-IT) : | 0.86 |
Consensus Log Po/w : | 1.23 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.96 |
Solubility : | 2.12 mg/ml ; 0.011 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.01 |
Solubility : | 1.9 mg/ml ; 0.00983 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.52 |
Solubility : | 0.577 mg/ml ; 0.00299 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.93 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92.8% | With ammonia In dichloromethane at -30℃; for 0.666667 h; | Step 2: 3, 4-Difluorobenzenesulfonamide (a-3); Through a solution of crude sulfonyl chloride a-2 (200 g, 0.92 mol) in anhydrous CH2CI2 (1.5 L) at -3O0C was bubbled NH3 (g). 10 min later, white syrup was formed. 30 min later, TLC (EtOAc: Petroleum ether = 1 :2) showed that the reaction was complete. The mixture was evaporated in vacuum to give crude compound, which was purified via column chromatography (EtOAc: Petroleum ether = 1 :5-1 :2-1 :0) to give pure compound a-3 (170 g, -92.8percent) as a white solid, which was used in next step without further purification. 1H NMR (400 MHz, DMSO): δ 7.82 (t, 1 H), 7.67 (m, 2H), 7.52 (s, 1 H). |
[ 287172-63-8 ]
2,4,5-Trifluorobenzenesulfonamide
Similarity: 0.90
[ 13656-60-5 ]
2,4-Difluorobenzenesulfonamide
Similarity: 0.85
[ 287172-63-8 ]
2,4,5-Trifluorobenzenesulfonamide
Similarity: 0.90
[ 13656-60-5 ]
2,4-Difluorobenzenesulfonamide
Similarity: 0.85
[ 287172-63-8 ]
2,4,5-Trifluorobenzenesulfonamide
Similarity: 0.90
[ 13656-60-5 ]
2,4-Difluorobenzenesulfonamide
Similarity: 0.85
[ 287172-63-8 ]
2,4,5-Trifluorobenzenesulfonamide
Similarity: 0.90
[ 13656-60-5 ]
2,4-Difluorobenzenesulfonamide
Similarity: 0.85