4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride
TL;DR: 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride (CAS 740-61-4) is a chemical compound with molecular formula C13H9FN2O5S and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)carbamoyl]benzenesulfonyl fluoride
Also Known As: starbld0018102, 4-((4-Nitrophenyl)carbamoyl)benzene-1-sulfonyl fluoride, 4-(N-(4-NITROPHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE, 4-[(4-nitrophenyl)carbamoyl]benzenesulfonyl Fluoride, 667-102-0
| Molecular Formula | C13H9FN2O5S |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 2.5053 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0216 |
| Heavy Atoms | 22 |
| Complexity | 816.51385 |
Chemical Identifiers
| CAS Number | 740-61-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)F |
Product Overview
4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride (CAS 740-61-4), with molecular formula C13H9FN2O5S and molecular weight 324.02 g/mol. IUPAC: 4-[(4-nitrophenyl)carbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride
Property Insights of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride
The XLogP value of 2.5053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride. Following Lipinski's Rule of Five, 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride has 1 hydrogen bond donor(s) and 5 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-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride?
The CAS number of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride is 740-61-4.
What is the molecular formula of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride?
The molecular formula of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride is C13H9FN2O5S.
What is the molecular weight of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride?
The molecular weight of 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride is 324.02 g/mol.
Where can I buy 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride?
You can request a quote for 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(4-Nitrophenyl)carbamoyl)benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.