TL;DR: Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester (CAS 14193-08-9) is a chemical compound with molecular formula C19H13BrN2O6S and molecular weight 475.96777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl) N-[4-(4-bromophenyl)sulfonylphenyl]carbamate
Also Known As: m-Nitrophenyl p-((p-bromophenyl)sulfonyl)carbanilate, CARBANILIC ACID, p-((p-BROMOPHENYL)SULFONYL)-, m-NITROPHENYL ESTER, p-((p-Bromophenyl)sulfonyl)carbanilic acid m-nitrophenyl ester, (3-nitrophenyl) N-[4-(4-bromophenyl)sulfonylphenyl]carbamate, 3-Nitrophenyl [4-(4-bromobenzene-1-sulfonyl)phenyl]carbamate
| Molecular Formula | C19H13BrN2O6S |
| Molecular Weight | 475.96777 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.96777 Da |
| Heavy Atoms | 29 |
| Complexity | 676.0 |
| SMILES | C1=CC(=CC(=C1)OC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
| InChIKey | DJDQQEKQNWIBDY-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester. Following Lipinski's Rule of Five, Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester 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 Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester is 14193-08-9.
The molecular formula of Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester is C19H13BrN2O6S.
The molecular weight of Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester is 475.96777 g/mol.
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