Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-
TL;DR: Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- (CAS 54288-96-9) is a chemical compound with molecular formula C17H13Br2NO2S and molecular weight 452.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-dibromonaphthalen-2-yl)-4-methylbenzenesulfonamide
Also Known As: N- -p-toluenesulphonamide, 1,3-Dibrom-2-tosylamino-naphthalin, Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-, N-(1,3-Dibromo-2-naphthyl)-p-toluenesulphonamide, n-(1,3-dibromo-2-naphthyl)-4-methylbenzenesulfonamide
| Molecular Formula | C17H13Br2NO2S |
|---|---|
| Molecular Weight | 452.90 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.90134 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 54288-96-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3C=C2Br)Br |
| InChIKey | UVAKNVUPXFGEIM-UHFFFAOYSA-N |
Product Overview
Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- (CAS 54288-96-9), with molecular formula C17H13Br2NO2S and molecular weight 452.90 g/mol. IUPAC: N-(1,3-dibromonaphthalen-2-yl)-4-methylbenzenesulfonamide.
Chemical Property Profile of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-
Property Insights of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-
The XLogP value of 5.4 indicates that Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-?
The CAS number of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- is 54288-96-9.
What is the molecular formula of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-?
The molecular formula of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- is C17H13Br2NO2S.
What is the molecular weight of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-?
The molecular weight of Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- is 452.90 g/mol.
Where can I buy Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-?
You can request a quote for Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, N-(1,3-dibromo-2-naphthalenyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.