N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide
TL;DR: N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide (CAS 728027-22-3) is a chemical compound with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide
Also Known As: BAS 14051410, N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide, (tert-butyl)[(2-methyl-5-(1,2,3,4-tetraazolyl)phenyl)sulfonyl]amine, A3861/0164003, N-tert-Butyl-2-methyl-5-tetrazol-1-yl-benzenesulfonamide
| Molecular Formula | C12H17N5O2S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 1.04752 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1103 |
| Heavy Atoms | 20 |
| Complexity | 701.9441 |
Chemical Identifiers
| CAS Number | 728027-22-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC(C)(C)C |
Product Overview
N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide (CAS 728027-22-3), with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol. IUPAC: N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide.
Chemical Property Profile of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide
Property Insights of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide
The XLogP value of 1.04752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide. Following Lipinski's Rule of Five, N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide has 1 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-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide?
The CAS number of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide is 728027-22-3.
What is the molecular formula of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide?
The molecular formula of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide is C12H17N5O2S.
What is the molecular weight of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide?
The molecular weight of N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide is 295.11 g/mol.
Where can I buy N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide?
You can request a quote for N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-2-methyl-5-(tetrazol-1-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.