TL;DR: N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 306736-03-8) is a chemical compound with molecular formula C18H16N4O5S2 and molecular weight 432.0562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE, N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, F0012-0243, N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C18H16N4O5S2 |
| Molecular Weight | 432.0562 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0562 Da |
| Heavy Atoms | 29 |
| Complexity | 724.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | AWGZARMCOZVZOI-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 306736-03-8.
The molecular formula of N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is C18H16N4O5S2.
The molecular weight of N-(6-nitrobenzo[d]thiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 432.0562 g/mol.
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