Basic information
- CAS
15728-46-8- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1- InChIKey
CTZWJTPVNUHRKA-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
- IUPAC
- 2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
Names & synonyms
2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole15728-46-82-methyl-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazoleMLS-0350366.00012-Methyl-1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazoleCBMicro_014139Oprea1_259406Oprea1_651343MLS0012122042-Methyl-1-(toluene-4-sulfonyl)-1H-benzoimidazole2-methyl-1-tosyl-benzimidazole
Show more names
cid_755364CHEMBL1411903BDBM62312DTXSID701322389HMS2835D21SMSF00046372-Methyl-1-tosyl-benzo[d]imidazoleEBC-07586
Database identifiers
- CAS
15728-46-8- PubChem CID
- 755364
- DTXSID
DTXSID701322389- ChEMBL
CHEMBL1411903- Nikkaji
- J3.367.243H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility2.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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