N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide
TL;DR: N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide (CAS 6975-49-1) is a chemical compound with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide
Also Known As: N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide, N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-4-nitrobenzenesulfo
| Molecular Formula | C12H17N3O4S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.09396 |
| Heavy Atoms | 20 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 6975-49-1 |
|---|---|
| SMILES | CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)C |
| InChIKey | ZWPWKMJDJFKAFD-UHFFFAOYSA-N |
Product Overview
N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide (CAS 6975-49-1), with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol. IUPAC: N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide
Property Insights of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The CAS number of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide is 6975-49-1.
What is the molecular formula of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The molecular formula of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide is C12H17N3O4S.
What is the molecular weight of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The molecular weight of N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide is 299.09 g/mol.
Where can I buy N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide?
You can request a quote for N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,3-dimethylbutan-2-ylideneamino)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.