Benzenesulfonamide, N,N,4-trimethyl-3-nitro-
TL;DR: Benzenesulfonamide, N,N,4-trimethyl-3-nitro- (CAS 96-57-1) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,4-trimethyl-3-nitrobenzenesulfonamide
Also Known As: N,N,4-trimethyl-3-nitrobenzenesulfonamide, Benzenesulfonamide, N,N,4-trimethyl-3-nitro-, 4,N,N-Trimethyl-3-nitro-benzenesulfonamide, N,N-Dimethyl-2-nitrotoluene-4-sulphonamide, Benzenesulfonamide,n,n,4-trimethyl-3-nitro-
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 96-57-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-] |
| InChIKey | HUMQVESBHAREIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonamide, N,N,4-trimethyl-3-nitro- (CAS 96-57-1), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: N,N,4-trimethyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of Benzenesulfonamide, N,N,4-trimethyl-3-nitro-
Property Insights of Benzenesulfonamide, N,N,4-trimethyl-3-nitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, N,N,4-trimethyl-3-nitro-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, N,N,4-trimethyl-3-nitro-. Following Lipinski's Rule of Five, Benzenesulfonamide, N,N,4-trimethyl-3-nitro- 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 Benzenesulfonamide, N,N,4-trimethyl-3-nitro-?
The CAS number of Benzenesulfonamide, N,N,4-trimethyl-3-nitro- is 96-57-1.
What is the molecular formula of Benzenesulfonamide, N,N,4-trimethyl-3-nitro-?
The molecular formula of Benzenesulfonamide, N,N,4-trimethyl-3-nitro- is C9H12N2O4S.
What is the molecular weight of Benzenesulfonamide, N,N,4-trimethyl-3-nitro-?
The molecular weight of Benzenesulfonamide, N,N,4-trimethyl-3-nitro- is 244.05 g/mol.
Where can I buy Benzenesulfonamide, N,N,4-trimethyl-3-nitro-?
You can request a quote for Benzenesulfonamide, N,N,4-trimethyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, N,N,4-trimethyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, N,N,4-trimethyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.