TL;DR: 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)- (CAS 134828-35-6) is a chemical compound with molecular formula C22H30N4O3S and molecular weight 430.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-diethyl-1H-indole-5-sulfonamide
Also Known As: 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)-, 3-((1S,2S,5R,7S)-5,7-dimethyl-6-oxo-1,3-diazaadamantan-2-yl)-N,N-diethyl-1H-indole-5-sulfonamide, 3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-N,N-diethyl-1H-indole-5-sulfonamide, 3-(5,7-Dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)-N,N-diethyl-1H-indole-5-sulfonamide, BRN 4891889
| Molecular Formula | C22H30N4O3S |
| Molecular Weight | 430.20386 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.20386 Da |
| Heavy Atoms | 30 |
| Complexity | 781.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C2C3N4CC5(CN3CC(C4)(C5=O)C)C |
| InChIKey | CRXIZXZMTPARRI-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)-. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)-. Following Lipinski's Rule of Five, 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)- is 134828-35-6.
The molecular formula of 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)- is C22H30N4O3S.
The molecular weight of 1H-Indole-5-sulfonamide, N,N-diethyl-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)- is 430.20386 g/mol.
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