N,2,5-trimethylbenzene-1-sulfonamide
TL;DR: N,2,5-trimethylbenzene-1-sulfonamide (CAS 7076-17-7) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,2,5-trimethylbenzenesulfonamide
Also Known As: n,2,5-trimethylbenzenesulfonamide, N,2,5-trimethylbenzene-1-sulfonamide, 2,5,N-Trimethylbenzenesulfonamide, Benzenecarboximidamide,N,4-dimethyl, 4,N-Dimethyl-o-toluol-sulfonamid
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 7076-17-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)NC |
| InChIKey | UGJYHTWLUYDADV-UHFFFAOYSA-N |
Product Overview
N,2,5-trimethylbenzene-1-sulfonamide (CAS 7076-17-7), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: N,2,5-trimethylbenzenesulfonamide.
Chemical Property Profile of N,2,5-trimethylbenzene-1-sulfonamide
Property Insights of N,2,5-trimethylbenzene-1-sulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,2,5-trimethylbenzene-1-sulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N,2,5-trimethylbenzene-1-sulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,2,5-trimethylbenzene-1-sulfonamide has 1 hydrogen bond donor(s) and 3 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,2,5-trimethylbenzene-1-sulfonamide?
The CAS number of N,2,5-trimethylbenzene-1-sulfonamide is 7076-17-7.
What is the molecular formula of N,2,5-trimethylbenzene-1-sulfonamide?
The molecular formula of N,2,5-trimethylbenzene-1-sulfonamide is C9H13NO2S.
What is the molecular weight of N,2,5-trimethylbenzene-1-sulfonamide?
The molecular weight of N,2,5-trimethylbenzene-1-sulfonamide is 199.07 g/mol.
Where can I buy N,2,5-trimethylbenzene-1-sulfonamide?
You can request a quote for N,2,5-trimethylbenzene-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,2,5-trimethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,2,5-trimethylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.