Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
TL;DR: Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- (CAS 137-49-5) is a chemical compound with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-N-phenylbenzenesulfonamide
Also Known As: 4-chloro-3-nitro-N-phenylbenzenesulfonamide, Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-, 4-Chloro-3-nitrobenzenesulfonanilide, 4-chloro-3-nitro-N-phenylbenzene-1-sulfonamide, 4-Chloro-3-nitro-N-phenyl-benzenesulfonamide
| Molecular Formula | C12H9ClN2O4S |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.99716 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 137-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | BEEGBBKQFMABPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- (CAS 137-49-5), with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol. IUPAC: 4-chloro-3-nitro-N-phenylbenzenesulfonamide.
Chemical Property Profile of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
Property Insights of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-. Following Lipinski's Rule of Five, Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- has 1 hydrogen bond donor(s) and 5 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 Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-?
The CAS number of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- is 137-49-5.
What is the molecular formula of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-?
The molecular formula of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- is C12H9ClN2O4S.
What is the molecular weight of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-?
The molecular weight of Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- is 312.00 g/mol.
Where can I buy Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-?
You can request a quote for Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.