Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(CO)c3ccccc32)cc1- InChIKey
AOYYOOZRBUTQBJ-UHFFFAOYSA-N- Molecular formula
- C16H15NO3S
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- (1-tosyl-1H-indol-3-yl)methanol
- IUPAC
- [1-(4-methylphenyl)sulfonylindol-3-yl]methanol
Names & synonyms
(1-tosyl-1H-indol-3-yl)methanol67593-11-7MFCD02327115[1-(4-methylphenyl)sulfonylindol-3-yl]methanol1-[(4-Methylphenyl)sulfonyl]indol-3-ylMethanol[1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]methanol1-[(4-Methylphenyl)sulfonyl]-1H-indole-3-methanol1H-Indole-3-methanol, 1-[(4-methylphenyl)sulfonyl]-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methanolMLS001179174(1-Tosyl-3-indolyl)methanolSCHEMBL946516
Show more names
CHEMBL1904177AOYYOOZRBUTQBJ-UHFFFAOYSA-NAKOS027255566[1-(p-tolylsulfonyl)indol-3-yl]methanolAS-68786SMR000477423SY125732DB-327596
Database identifiers
- PubChem CID
- 839263
- ChEMBL
CHEMBL1904177- Nikkaji
- J2.861.199D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Related reactions
4 records
Compound notes
Loading…