N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide
TL;DR: N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide (CAS 118593-84-3) is a chemical compound with molecular formula C13H11ClN2O4S and molecular weight 326.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide
Also Known As: n-(5-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide, 2-Amino-6-chlorobenzonitrile, N-(5-Chloro-2-Methyl-4-Nitrophenyl)-Benzenesulfonamide, N-tert-butyl-2,2-diethyl-1-methoxycyclopropylamine, (5-chloro-2-methyl-4-nitrophenyl)(phenylsulfonyl)amine
| Molecular Formula | C13H11ClN2O4S |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.01282 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 118593-84-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC=C2)Cl)[N+](=O)[O-] |
| InChIKey | ZCWHGYXVBWBFEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide (CAS 118593-84-3), with molecular formula C13H11ClN2O4S and molecular weight 326.01 g/mol. IUPAC: N-(5-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide
Property Insights of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide
The XLogP value of 3.3 indicates that N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide. Following Lipinski's Rule of Five, N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide 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 N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide?
The CAS number of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide is 118593-84-3.
What is the molecular formula of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide?
The molecular formula of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide is C13H11ClN2O4S.
What is the molecular weight of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide?
The molecular weight of N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide is 326.01 g/mol.
Where can I buy N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide?
You can request a quote for N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Chloro-2-methyl-4-nitrophenyl)-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.