3-Amino-N-(phenylsulfonyl)benzenesulfonamide
TL;DR: 3-Amino-N-(phenylsulfonyl)benzenesulfonamide (CAS 4431-68-9) is a chemical compound with molecular formula C12H12N2O4S2 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(benzenesulfonyl)benzenesulfonamide
Also Known As: 3-amino-n-(phenylsulfonyl)benzenesulfonamide, 3-amino-N- benzenesulphonamide, 3-Amino-N-(phenylsulphonyl)benzenesulphonamide, 3-amino-N-(benzenesulfonyl)benzenesulfonamide, METANILAMIDE, N1-(PHENYLSULFONYL)-
| Molecular Formula | C12H12N2O4S2 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.02383 |
| Heavy Atoms | 20 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 4431-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC(=C2)N |
| InChIKey | QRRXGUYBWCPMGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-N-(phenylsulfonyl)benzenesulfonamide (CAS 4431-68-9), with molecular formula C12H12N2O4S2 and molecular weight 312.02 g/mol. IUPAC: 3-amino-N-(benzenesulfonyl)benzenesulfonamide.
Chemical Property Profile of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide
Property Insights of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide
The XLogP value of -0.2 indicates that 3-Amino-N-(phenylsulfonyl)benzenesulfonamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-N-(phenylsulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3-Amino-N-(phenylsulfonyl)benzenesulfonamide has 2 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 3-Amino-N-(phenylsulfonyl)benzenesulfonamide?
The CAS number of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide is 4431-68-9.
What is the molecular formula of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide?
The molecular formula of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide is C12H12N2O4S2.
What is the molecular weight of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide?
The molecular weight of 3-Amino-N-(phenylsulfonyl)benzenesulfonamide is 312.02 g/mol.
Where can I buy 3-Amino-N-(phenylsulfonyl)benzenesulfonamide?
You can request a quote for 3-Amino-N-(phenylsulfonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-N-(phenylsulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-N-(phenylsulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.