Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2CCc3cc(Br)cc(N)c32)cc1- InChIKey
XEFBSUJLLVCNQD-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2O3S
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 381.99868
Names & identifiers
- Preferred name
- 5-Bromo-1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl amine
- IUPAC
- 5-bromo-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine
Names & synonyms
SCHEMBL3354565XEFBSUJLLVCNQD-UHFFFAOYSA-N5-Bromo-1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl amine
Database identifiers
- PubChem CID
- 68610232
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Related reactions
4 records
Compound notes
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