N-Isopropyl 3-bromo-4-methylbenzenesulfonamide
TL;DR: N-Isopropyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-66-2) is a chemical compound with molecular formula C10H14BrNO2S and molecular weight 290.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-N-propan-2-ylbenzenesulfonamide
Also Known As: N-ISOPROPYL 3-BROMO-4-METHYLBENZENESULFONAMIDE, 3-bromo-4-methyl-N-propan-2-ylbenzenesulfonamide, N-Isopropyl3-bromo-4-methylbenzenesulfonamide, N-Isopropyl-3-bromo-4-methylbenzenesulfonamide, 3-bromo-N-isopropyl-4-methyl-benzenesulfonamide
| Molecular Formula | C10H14BrNO2S |
|---|---|
| Molecular Weight | 290.99 g/mol |
| LogP | 2.44422 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.99286 |
| Heavy Atoms | 15 |
| Complexity | 454.49023 |
Chemical Identifiers
| CAS Number | 850429-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)Br |
Product Overview
N-Isopropyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-66-2), with molecular formula C10H14BrNO2S and molecular weight 290.99 g/mol. IUPAC: 3-bromo-4-methyl-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide
Property Insights of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide
The XLogP value of 2.44422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl 3-bromo-4-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-Isopropyl 3-bromo-4-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl 3-bromo-4-methylbenzenesulfonamide has 1 hydrogen bond donor(s) and 2 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 N-Isopropyl 3-bromo-4-methylbenzenesulfonamide?
The CAS number of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide is 850429-66-2.
What is the molecular formula of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide?
The molecular formula of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide is C10H14BrNO2S.
What is the molecular weight of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide?
The molecular weight of N-Isopropyl 3-bromo-4-methylbenzenesulfonamide is 290.99 g/mol.
Where can I buy N-Isopropyl 3-bromo-4-methylbenzenesulfonamide?
You can request a quote for N-Isopropyl 3-bromo-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyl 3-bromo-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl 3-bromo-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.