TL;DR: ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE (CAS 108679-70-5) is a chemical compound with molecular formula C16H12N6O6S2 and molecular weight 448.02597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-nitrophenyl)methylideneamino]oxamide
Also Known As: ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE
| Molecular Formula | C16H12N6O6S2 |
| Molecular Weight | 448.02597 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 226.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.02597 Da |
| Heavy Atoms | 30 |
| Complexity | 802.0 |
| SMILES | C1=CC(=CC=C1C=NNC(=O)C(=O)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N)[N+](=O)[O-] |
| InChIKey | WVFMAZAKHGEFJO-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE. The TPSA of 226.0 Ų indicates high polarity, suggesting ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE is 108679-70-5.
The molecular formula of ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE is C16H12N6O6S2.
The molecular weight of ACETIC ACID (((2-AMINO-6-BENZOTHIAZOLYL)SULFONYL)AMINO)OXO-,((4-NITR OPHENYL)METHYLENE)HYDRAZIDE is 448.02597 g/mol.
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