4-((4-Methylphenyl)sulfonyl)aniline
TL;DR: 4-((4-Methylphenyl)sulfonyl)aniline (CAS 4094-38-6) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonylaniline
Also Known As: 4-(p-Tolylsulfonyl)aniline, 4-[(4-methylphenyl)sulfonyl]aniline, 4-p-Tolylsulfon-anilin, 2NH2Ph-SO2-4MePh, 4-(4-methylphenyl)sulfonylaniline
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 4094-38-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | NUOSUXKIGQANEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Methylphenyl)sulfonyl)aniline (CAS 4094-38-6), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 4-(4-methylphenyl)sulfonylaniline.
Chemical Property Profile of 4-((4-Methylphenyl)sulfonyl)aniline
Property Insights of 4-((4-Methylphenyl)sulfonyl)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Methylphenyl)sulfonyl)aniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Methylphenyl)sulfonyl)aniline. Following Lipinski's Rule of Five, 4-((4-Methylphenyl)sulfonyl)aniline has 1 hydrogen bond donor(s) and 3 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 4-((4-Methylphenyl)sulfonyl)aniline?
The CAS number of 4-((4-Methylphenyl)sulfonyl)aniline is 4094-38-6.
What is the molecular formula of 4-((4-Methylphenyl)sulfonyl)aniline?
The molecular formula of 4-((4-Methylphenyl)sulfonyl)aniline is C13H13NO2S.
What is the molecular weight of 4-((4-Methylphenyl)sulfonyl)aniline?
The molecular weight of 4-((4-Methylphenyl)sulfonyl)aniline is 247.07 g/mol.
Where can I buy 4-((4-Methylphenyl)sulfonyl)aniline?
You can request a quote for 4-((4-Methylphenyl)sulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Methylphenyl)sulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Methylphenyl)sulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.