N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide
TL;DR: N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide (CAS 17400-18-9) is a chemical compound with molecular formula C15H15BrN2O4S and molecular weight 397.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromopropyl)-4-nitro-N-phenylbenzenesulfonamide
Also Known As: N-(3-bromopropyl)-4-nitro-N-phenylbenzenesulfonamide, N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide, N-(3-bromopropyl)-4-nitro-N-phenyl-benzenesulfonamide
| Molecular Formula | C15H15BrN2O4S |
|---|---|
| Molecular Weight | 397.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.9936 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 17400-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCCBr)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XJYQUKYJOXSUID-UHFFFAOYSA-N |
Product Overview
N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide (CAS 17400-18-9), with molecular formula C15H15BrN2O4S and molecular weight 397.99 g/mol. IUPAC: N-(3-bromopropyl)-4-nitro-N-phenylbenzenesulfonamide.
Chemical Property Profile of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide
Property Insights of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide
The XLogP value of 3.6 indicates that N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide has 0 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-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide?
The CAS number of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide is 17400-18-9.
What is the molecular formula of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide?
The molecular formula of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide is C15H15BrN2O4S.
What is the molecular weight of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide?
The molecular weight of N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide is 397.99 g/mol.
Where can I buy N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide?
You can request a quote for N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromopropyl)-4-nitro-N-phenylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.