Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-
TL;DR: Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- (CAS 87474-72-4) is a chemical compound with molecular formula C13H11F2N5O6S and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea
Also Known As: Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-, Benzenesulfonamide, N-[[[4-(difluoromethoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]-2-nitro-, 1-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea, N-{[4-(Difluoromethoxy)-6-methylpyrimidin-2-yl]carbamoyl}-2-nitrobenzene-1-sulfonamide, N-(((4-(DIFLUOROMETHOXY)-6-METHYL-PYRIMIDIN-2-YL)AMINO)CARBONYL)-2-NITROBENZENESULFONAMIDE
| Molecular Formula | C13H11F2N5O6S |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.03983 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 87474-72-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC(F)F |
| InChIKey | FUBPWMSHAINUOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- (CAS 87474-72-4), with molecular formula C13H11F2N5O6S and molecular weight 403.04 g/mol. IUPAC: 1-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea.
Chemical Property Profile of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-
Property Insights of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-. The TPSA of 164.0 Ų indicates high polarity, suggesting Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- has 2 hydrogen bond donor(s) and 10 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 Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-?
The CAS number of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- is 87474-72-4.
What is the molecular formula of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-?
The molecular formula of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- is C13H11F2N5O6S.
What is the molecular weight of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-?
The molecular weight of Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- is 403.04 g/mol.
Where can I buy Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-?
You can request a quote for Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, N-(((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.