![N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide structure](/static/products/5917/591726-65-7.webp)
N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide
TL;DR: N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide (CAS 591726-65-7) is a chemical compound with molecular formula C16H18ClN3O4S and molecular weight 383.07065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide
Also Known As: N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide, {3-[(2-chloro-4-nitrophenyl)amino]propyl}[(4-methylphenyl)sulfonyl]amine, N-{3-[(2-chloro-4-nitrophenyl)amino]propyl}-4-methylbenzenesulfonamide
Technical Specifications
| Molecular Formula | C16H18ClN3O4S |
| Molecular Weight | 383.07065 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.07065 Da |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | GFGZBYHAQKOLAI-UHFFFAOYSA-N |
Chemical Property Profile of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide
Property Insights of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide
The XLogP value of 4.3 indicates that N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide?
The CAS number of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide is 591726-65-7.
What is the molecular formula of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide?
The molecular formula of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide is C16H18ClN3O4S.
What is the molecular weight of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide?
The molecular weight of N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide is 383.07065 g/mol.
Where can I buy N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide?
You can request a quote for N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.