Basic information
- Standard SMILES
CS(=O)(=O)Nc1c(C(=O)c2cccc(Br)c2)[nH]c2cc(Cl)ccc12- InChIKey
CNTPNGSKUIPMNB-UHFFFAOYSA-N- Molecular formula
- C16H12BrClN2O3S
- Average molar mass
- 427.7 g/mol
- Monoisotopic mass
- 425.94405
Names & identifiers
- Preferred name
- N-[2-(3-Bromobenzoyl)-6chloro-1H-indol-3-yl]methanesulfonamide
- IUPAC
- N-[2-(3-bromobenzoyl)-6-chloro-1H-indol-3-yl]methanesulfonamide
Names & synonyms
SCHEMBL6943623CNTPNGSKUIPMNB-UHFFFAOYSA-NN-[2-(3-Bromobenzoyl)-6chloro-1H-indol-3-yl]methanesulfonamide
Database identifiers
- PubChem CID
- 9845443
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 582
Related reactions
1 records
Compound notes
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