4-Chloro-3-nitro-5-sulphamoylbenzoic acid
TL;DR: 4-Chloro-3-nitro-5-sulphamoylbenzoic acid (CAS 22892-96-2) is a chemical compound with molecular formula C7H5ClN2O6S and molecular weight 279.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-5-sulfamoylbenzoic acid
Also Known As: 4-chloro-3-nitro-5-sulfamoylbenzoic acid, 4-Chloro-3-nitro-5-sulphamoylbenzoic acid, Bumetanide Impurity 5, Bumetanide Impurity 18, Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-
| Molecular Formula | C7H5ClN2O6S |
|---|---|
| Molecular Weight | 279.96 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.9557 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 22892-96-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O |
| InChIKey | ACYLUAGCBGTEJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-nitro-5-sulphamoylbenzoic acid (CAS 22892-96-2), with molecular formula C7H5ClN2O6S and molecular weight 279.96 g/mol. IUPAC: 4-chloro-3-nitro-5-sulfamoylbenzoic acid.
Chemical Property Profile of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid
Property Insights of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitro-5-sulphamoylbenzoic acid. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-Chloro-3-nitro-5-sulphamoylbenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Chloro-3-nitro-5-sulphamoylbenzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid?
The CAS number of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid is 22892-96-2.
What is the molecular formula of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid?
The molecular formula of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid is C7H5ClN2O6S.
What is the molecular weight of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid?
The molecular weight of 4-Chloro-3-nitro-5-sulphamoylbenzoic acid is 279.96 g/mol.
Where can I buy 4-Chloro-3-nitro-5-sulphamoylbenzoic acid?
You can request a quote for 4-Chloro-3-nitro-5-sulphamoylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-nitro-5-sulphamoylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitro-5-sulphamoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.