![3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide structure](/static/products/1016/101601-78-9.webp)
3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
TL;DR: 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CAS 101601-78-9) is a chemical compound with molecular formula C17H13N5O5S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
Also Known As: BAS 02167752, 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide, 3-Nitro-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide, 3-nitro-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)benzamide, 3-NITRO-N-{4-[(PYRIMIDIN-2-YL)SULFAMOYL]PHENYL}BENZAMIDE
| Molecular Formula | C17H13N5O5S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 2.4379 |
| Topological Polar Surface Area | 144.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.06375 |
| Heavy Atoms | 28 |
| Complexity | 1118.1897 |
Chemical Identifiers
| CAS Number | 101601-78-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 |
Product Overview
3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CAS 101601-78-9), with molecular formula C17H13N5O5S and molecular weight 399.06 g/mol. IUPAC: 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
Chemical Property Profile of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
Property Insights of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
The XLogP value of 2.4379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide. The TPSA of 144.19 Ų indicates high polarity, suggesting 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has 2 hydrogen bond donor(s) and 7 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-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The CAS number of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is 101601-78-9.
What is the molecular formula of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The molecular formula of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is C17H13N5O5S.
What is the molecular weight of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The molecular weight of 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is 399.06 g/mol.
Where can I buy 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
You can request a quote for 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.