4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide
TL;DR: 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide (CAS 82835-65-2) 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-benzyl-4-chloro-3-nitrobenzenesulfonamide
Also Known As: N-benzyl-4-chloro-3-nitrobenzenesulfonamide, N-benzyl-4-chloro-3-nitrobenzene-1-sulfonamide, N-Benzyl-4-chloro-3-nitro-benzenesulfonamide, 4-Chloro-3-nitro-N-benzylbenzenesulfonamide, [(4-chloro-3-nitrophenyl)sulfonyl]benzylamine
| Molecular Formula | C13H11ClN2O4S |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | 2.7267 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.01282 |
| Heavy Atoms | 21 |
| Complexity | 762.99567 |
Chemical Identifiers
| CAS Number | 82835-65-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide (CAS 82835-65-2), with molecular formula C13H11ClN2O4S and molecular weight 326.01 g/mol. IUPAC: N-benzyl-4-chloro-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide
Property Insights of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide
The XLogP value of 2.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-N-(phenylmethyl)benzenesulfonamide?
The CAS number of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide is 82835-65-2.
What is the molecular formula of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide?
The molecular formula of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide is C13H11ClN2O4S.
What is the molecular weight of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide?
The molecular weight of 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide is 326.01 g/mol.
Where can I buy 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide?
You can request a quote for 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide 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-N-(phenylmethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.