4-(Methylamino)benzene-1-sulfonyl fluoride
TL;DR: 4-(Methylamino)benzene-1-sulfonyl fluoride (CAS 21320-84-3) is a chemical compound with molecular formula C7H8FNO2S and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)benzenesulfonyl fluoride
Also Known As: 4-(Methylamino)benzene-1-sulfonyl fluoride, 4-(methylamino)benzenesulfonyl fluoride, Benzenesulfonyl fluoride, 4-(methylamino)-
| Molecular Formula | C7H8FNO2S |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.02597 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 21320-84-3 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)S(=O)(=O)F |
| InChIKey | CRRCYNAXHOEJIA-UHFFFAOYSA-N |
Product Overview
4-(Methylamino)benzene-1-sulfonyl fluoride (CAS 21320-84-3), with molecular formula C7H8FNO2S and molecular weight 189.03 g/mol. IUPAC: 4-(methylamino)benzenesulfonyl fluoride.
Chemical Property Profile of 4-(Methylamino)benzene-1-sulfonyl fluoride
Property Insights of 4-(Methylamino)benzene-1-sulfonyl fluoride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylamino)benzene-1-sulfonyl fluoride. With a topological polar surface area (TPSA) of 54.6 Ų, 4-(Methylamino)benzene-1-sulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylamino)benzene-1-sulfonyl fluoride has 1 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 4-(Methylamino)benzene-1-sulfonyl fluoride?
The CAS number of 4-(Methylamino)benzene-1-sulfonyl fluoride is 21320-84-3.
What is the molecular formula of 4-(Methylamino)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(Methylamino)benzene-1-sulfonyl fluoride is C7H8FNO2S.
What is the molecular weight of 4-(Methylamino)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(Methylamino)benzene-1-sulfonyl fluoride is 189.03 g/mol.
Where can I buy 4-(Methylamino)benzene-1-sulfonyl fluoride?
You can request a quote for 4-(Methylamino)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylamino)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylamino)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.