2-Nitro-N-isobutylbenzenesulfonamide
TL;DR: 2-Nitro-N-isobutylbenzenesulfonamide (CAS 89840-65-3) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-2-nitrobenzenesulfonamide
Also Known As: 2-NITRO-N-ISOBUTYLBENZENESULFONAMIDE, N-(2-methylpropyl)-2-nitrobenzenesulfonamide, Benzenesulfonamide,N-(2-methylpropyl)-2-nitro-, N-Isobutyl-2-nitrobenzenesulfonamide, n-(2-methylpropyl)-2-nitrobenzene-1-sulfonamide
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.5291 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 510.7921 |
Chemical Identifiers
| CAS Number | 89840-65-3 |
|---|---|
| SMILES | CC(C)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-Nitro-N-isobutylbenzenesulfonamide (CAS 89840-65-3), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: N-(2-methylpropyl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of 2-Nitro-N-isobutylbenzenesulfonamide
Property Insights of 2-Nitro-N-isobutylbenzenesulfonamide
The XLogP value of 1.5291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-N-isobutylbenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-N-isobutylbenzenesulfonamide. Following Lipinski's Rule of Five, 2-Nitro-N-isobutylbenzenesulfonamide 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 2-Nitro-N-isobutylbenzenesulfonamide?
The CAS number of 2-Nitro-N-isobutylbenzenesulfonamide is 89840-65-3.
What is the molecular formula of 2-Nitro-N-isobutylbenzenesulfonamide?
The molecular formula of 2-Nitro-N-isobutylbenzenesulfonamide is C10H14N2O4S.
What is the molecular weight of 2-Nitro-N-isobutylbenzenesulfonamide?
The molecular weight of 2-Nitro-N-isobutylbenzenesulfonamide is 258.07 g/mol.
Where can I buy 2-Nitro-N-isobutylbenzenesulfonamide?
You can request a quote for 2-Nitro-N-isobutylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-N-isobutylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-N-isobutylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.