TL;DR: 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CAS 1030621-25-0) is a chemical compound with molecular formula C28H23FN4O3S and molecular weight 514.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, 2-[(4-FLUOROPHENYL)SULFONYL]-N-{4-[(E)-PHENYLDIAZENYL]PHENYL}-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXAMIDE, 2-[(4-fluorophenyl)sulfonyl]-N-{4-[(E)-phenyldiazenyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, 2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-N-[4-(2-phenyldiazenyl)phenyl]-
| Molecular Formula | C28H23FN4O3S |
| Molecular Weight | 514.14746 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.14746 Da |
| Heavy Atoms | 37 |
| Complexity | 888.0 |
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5 |
| InChIKey | WQLUSBGJYWFNFM-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is 1030621-25-0.
The molecular formula of 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is C28H23FN4O3S.
The molecular weight of 2-(4-fluorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is 514.14746 g/mol.
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