N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
TL;DR: N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide (CAS 6959-79-1) is a chemical compound with molecular formula C11H17NO3S and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
Also Known As: N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide, n-(hydroxymethyl)-2-methyl-5-(propan-2-yl)benzenesulfonamide, N-(Hydroxymethyl)-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide
| Molecular Formula | C11H17NO3S |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.09291 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 6959-79-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NCO |
| InChIKey | QABSSTSJJHIBRV-UHFFFAOYSA-N |
Product Overview
N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide (CAS 6959-79-1), with molecular formula C11H17NO3S and molecular weight 243.09 g/mol. IUPAC: N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
Property Insights of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide has 2 hydrogen bond donor(s) and 4 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-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The CAS number of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide is 6959-79-1.
What is the molecular formula of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The molecular formula of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide is C11H17NO3S.
What is the molecular weight of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The molecular weight of N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide is 243.09 g/mol.
Where can I buy N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
You can request a quote for N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(hydroxymethyl)-2-methyl-5-propan-2-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.