Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)
TL;DR: Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) (CAS 3887-48-7) is a chemical compound with molecular formula C6H7ClFNO2S and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobenzenesulfonyl fluoride;hydrochloride
Also Known As: Metanilyl fluoride HCl, Metanilyl fluoride, hydrochloride, starbld0000264, 3-aminobenzenesulfonyl fluoride hydrochloride, Metanilyl fluoride hydrochloride
| Molecular Formula | C6H7ClFNO2S |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.987 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3887-48-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)N.Cl |
| InChIKey | KTADZFWRDLKHKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) (CAS 3887-48-7), with molecular formula C6H7ClFNO2S and molecular weight 210.99 g/mol. IUPAC: 3-aminobenzenesulfonyl fluoride;hydrochloride.
Chemical Property Profile of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)
Property Insights of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1). The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) 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 Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)?
The CAS number of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) is 3887-48-7.
What is the molecular formula of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)?
The molecular formula of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) is C6H7ClFNO2S.
What is the molecular weight of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)?
The molecular weight of Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) is 210.99 g/mol.
Where can I buy Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)?
You can request a quote for Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.