2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one (CAS 84100-61-8) — formula C33H45ClF3N3O4S, molecular weight 672.2; category organic chemicals.
| CAS Number | 84100-61-8 |
|---|---|
| Molecular Formula | C33H45ClF3N3O4S |
| Molecular Weight | 672.2 |
| LogP | 11.4 |
| Category | Organic Chemicals |
2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one is a carbon-based organic compound with CAS registry number 84100-61-8 and molecular formula C33H45ClF3N3O4S (molecular weight 672.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84100-61-8
Its molecular formula C33H45ClF3N3O4S comprises 33 C, 45 H, 1 Cl, 3 F, 3 N, 4 O, 1 S atoms.
Also known as: 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one · 2-[2-(2-氯-1,1,2-三氟乙氧基)苯基]-5-[[4-(十六烷基磺酰基)苯基]氨基]-2,4-二氢-3H-吡唑-3-酮
Category: organic chemicals
The CAS registry number of 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one is 84100-61-8.
Molecular formula C33H45ClF3N3O4S, molecular weight 672.2.
It is also registered under: 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one, 2-[2-(2-氯-1,1,2-三氟乙氧基)苯基]-5-[[4-(十六烷基磺酰基)苯基]氨基]-2,4-二氢-3H-吡唑-3-酮.
Category: Organic Chemicals.
Independent reference data for 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one (CAS 84100-61-8), compiled from public chemistry databases.
| CAS 号 | 84100-61-8 |
|---|---|
| PubChem CID | 135687068 |
| 分子式 | C33H45ClF3N3O4S |
| IUPAC 名称 | 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-(4-hexadecylsulfonylphenyl)iminopyrazolidin-3-one |
| UNII（FDA） | U7T3669L8B |
| Molecular Weight | 672.2 |
|---|---|
| XLogP3 | 11.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 671.2771403 |
| Monoisotopic Mass | 671.2771403 |
| Topological Polar Surface Area | 96.5 |
| Heavy Atom Count | 45 |
84100-61-8; EINECS 282-142-5; 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-(4-hexadecylsulfonylanilino)-4H-pyrazol-3-one; ANNZWPZMJJEIQM-UHFFFAOYSA-N; DTXSID801004384; U7T3669L8B; NS00058492
2-[2-(2-氯-1,1,2-三氟乙氧基)苯基]-5-[[4-(十六烷基磺酰基)苯基]氨基]-2,4-二氢-3H-吡唑-3-酮 · CAS 84100-61-8 · C33H45ClF3N3O4S. UNII U7T3669L8B.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[2-(2-氯-1,1,2-三氟乙氧基)苯基]-5-[[4-(十六烷基磺酰基)苯基]氨基]-2,4-二氢-3H-吡唑-3-酮