N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide
TL;DR: N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide (CAS 6949-52-6) is a chemical compound with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide
Also Known As: N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide, Benzenesulfonic acid,4-nitro-, 2-(1-methylhexylidene)hydrazide, N-(HEPTAN-2-YLIDENEAMINO)-4-NITRO-BENZENESULFONAMIDE
| Molecular Formula | C13H19N3O4S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.10962 |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 6949-52-6 |
|---|---|
| SMILES | CCCCCC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | WTFVUVDDKLXJLH-UHFFFAOYSA-N |
Product Overview
N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide (CAS 6949-52-6), with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol. IUPAC: N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide
Property Insights of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(heptan-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-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The CAS number of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide is 6949-52-6.
What is the molecular formula of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The molecular formula of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide is C13H19N3O4S.
What is the molecular weight of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide?
The molecular weight of N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide is 313.11 g/mol.
Where can I buy N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide?
You can request a quote for N-(heptan-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-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(heptan-2-ylideneamino)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.