4-Amino-3-nitrobenzenesulfonyl fluoride
TL;DR: 4-Amino-3-nitrobenzenesulfonyl fluoride (CAS 37031-31-5) is a chemical compound with molecular formula C6H5FN2O4S and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-nitrobenzenesulfonyl fluoride
Also Known As: starbld0019494, 4-amino-3-nitrobenzenesulfonyl fluoride, 2-Nitro-4-fluorosulphonylaniline, 4-Amino-3-nitrobenzene-1-sulfonyl fluoride, Benzenesulfonylfluoride, 4-amino-3-nitro-
| Molecular Formula | C6H5FN2O4S |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.9954 |
| Heavy Atoms | 14 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 37031-31-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)F)[N+](=O)[O-])N |
| InChIKey | WMBNSJLAXIVNSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3-nitrobenzenesulfonyl fluoride (CAS 37031-31-5), with molecular formula C6H5FN2O4S and molecular weight 220.00 g/mol. IUPAC: 4-amino-3-nitrobenzenesulfonyl fluoride.
Chemical Property Profile of 4-Amino-3-nitrobenzenesulfonyl fluoride
Property Insights of 4-Amino-3-nitrobenzenesulfonyl fluoride
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-nitrobenzenesulfonyl fluoride. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-nitrobenzenesulfonyl fluoride. Following Lipinski's Rule of Five, 4-Amino-3-nitrobenzenesulfonyl fluoride 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-Amino-3-nitrobenzenesulfonyl fluoride?
The CAS number of 4-Amino-3-nitrobenzenesulfonyl fluoride is 37031-31-5.
What is the molecular formula of 4-Amino-3-nitrobenzenesulfonyl fluoride?
The molecular formula of 4-Amino-3-nitrobenzenesulfonyl fluoride is C6H5FN2O4S.
What is the molecular weight of 4-Amino-3-nitrobenzenesulfonyl fluoride?
The molecular weight of 4-Amino-3-nitrobenzenesulfonyl fluoride is 220.00 g/mol.
Where can I buy 4-Amino-3-nitrobenzenesulfonyl fluoride?
You can request a quote for 4-Amino-3-nitrobenzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-nitrobenzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-nitrobenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.