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4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide
TL;DR: 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide (CAS 307540-28-9) 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.
4-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
Also Known As: MixCom6_001542, BAS 02167731, 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide, BIM-0031320.P001, 4-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)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 | 1100.9397 |
Chemical Identifiers
| CAS Number | 307540-28-9 |
|---|---|
| SMILES | C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide (CAS 307540-28-9), with molecular formula C17H13N5O5S and molecular weight 399.06 g/mol. IUPAC: 4-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
Chemical Property Profile of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide
Property Insights of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide
The XLogP value of 2.4379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide. The TPSA of 144.19 Ų indicates high polarity, suggesting 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]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 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide?
The CAS number of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide is 307540-28-9.
What is the molecular formula of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide?
The molecular formula of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide is C17H13N5O5S.
What is the molecular weight of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide?
The molecular weight of 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide is 399.06 g/mol.
Where can I buy 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide?
You can request a quote for 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.