1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
TL;DR: 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide (CAS 241127-25-3) is a chemical compound with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
Also Known As: 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide, 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenesulfonamide, (1E)-1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide, 4-[2-(cyano-tert-butylsulfonyl-methylidene)hydrazinyl]benzenesulfonamide, 4-[2-[Cyano[(1,1-dimethylethyl)sulfonyl]methylene]hydrazinyl]benzenesulfonamide
| Molecular Formula | C12H16N4O4S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 0.79628 |
| Topological Polar Surface Area | 142.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0613 |
| Heavy Atoms | 22 |
| Complexity | 826.59784 |
Chemical Identifiers
| CAS Number | 241127-25-3 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)N)C#N |
Product Overview
1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide (CAS 241127-25-3), with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol. IUPAC: 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide.
Chemical Property Profile of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
Property Insights of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
The XLogP value of 0.79628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide. The TPSA of 142.48 Ų indicates high polarity, suggesting 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide has 2 hydrogen bond donor(s) and 7 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 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide?
The CAS number of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide is 241127-25-3.
What is the molecular formula of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide?
The molecular formula of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide is C12H16N4O4S2.
What is the molecular weight of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide?
The molecular weight of 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide is 344.06 g/mol.
Where can I buy 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide?
You can request a quote for 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.