4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide
TL;DR: 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide (CAS 7403-88-5) is a chemical compound with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-N-pyridin-2-ylbenzenesulfonamide
Also Known As: 4-isothiocyanato-N-pyridin-2-ylbenzenesulfonamide, 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide
| Molecular Formula | C12H9N3O2S2 |
|---|---|
| Molecular Weight | 291.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.0136 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 7403-88-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S |
| InChIKey | ZVMCJLUDHSKSPH-UHFFFAOYSA-N |
Product Overview
4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide (CAS 7403-88-5), with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol. IUPAC: 4-isothiocyanato-N-pyridin-2-ylbenzenesulfonamide.
Chemical Property Profile of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide
Property Insights of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide. Following Lipinski's Rule of Five, 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide has 1 hydrogen bond donor(s) and 6 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-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide?
The CAS number of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide is 7403-88-5.
What is the molecular formula of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide?
The molecular formula of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide is C12H9N3O2S2.
What is the molecular weight of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide?
The molecular weight of 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide is 291.01 g/mol.
Where can I buy 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide?
You can request a quote for 4-Isothiocyanato-N-(pyridin-2-yl)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-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.