![1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole structure](/static/products/1111/111198-05-1.webp)
1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole (CAS 111198-05-1) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonylmethyl)benzotriazole
Also Known As: starbld0013016, 1-(benzenesulfonylmethyl)benzotriazole, 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole, 1-(Phenylsulfonylmethyl)-1H-benzotriazole, J1.360.101A
Technical Specifications
| Molecular Formula | C13H11N3O2S |
| Molecular Weight | 273.0572 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0572 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CN2C3=CC=CC=C3N=N2 |
| InChIKey | MVMJSTOXBAXBFS-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole is 111198-05-1.
What is the molecular formula of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole is C13H11N3O2S.
What is the molecular weight of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole is 273.0572 g/mol.
Where can I buy 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(Benzenesulfonyl)methyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.