4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide
TL;DR: 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide (CAS 875540-67-3) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
Also Known As: aromatic/heteroaromatic sulfonamide 32, 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide, 3-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide, 1-N-(4-tert-butylbenzene)benzene-1,3-disulfonamide, 3-(4-tert-butylphenylsulfonamido)benzenesulfonamide
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.4323 |
| Topological Polar Surface Area | 106.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 942.3171 |
Chemical Identifiers
| CAS Number | 875540-67-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N |
Product Overview
4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide (CAS 875540-67-3), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: 3-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide.
Chemical Property Profile of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide
Property Insights of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide
The XLogP value of 2.4323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide. The TPSA of 106.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide 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 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide?
The CAS number of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide is 875540-67-3.
What is the molecular formula of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide?
The molecular formula of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide is C16H20N2O4S2.
What is the molecular weight of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide?
The molecular weight of 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide is 368.09 g/mol.
Where can I buy 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide?
You can request a quote for 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(3-sulfamoylphenyl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.