TL;DR: 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CAS 1005659-28-8) is a chemical compound with molecular formula C18H21Cl3N4O3S and molecular weight 478.04 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide, 2,4-DICHLORO-N-[3-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPYL]-5-(1-PYRROLIDINYLSULFONYL)BENZAMIDE, 2,4-dichloro-N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylsulfonyl)benzamide, 2,4-dichloro-N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide
| Molecular Formula | C18H21Cl3N4O3S |
| Molecular Weight | 478.04 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.04 Da |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
| SMILES | CC1=NN(C=C1Cl)CCCNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCCC3 |
| InChIKey | VWDSWCPZEJLSIZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide is 1005659-28-8.
The molecular formula of 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide is C18H21Cl3N4O3S.
The molecular weight of 2,4-dichloro-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide is 478.04 g/mol.
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