Basic information
- Standard SMILES
COC(=O)c1cc(N(C)S(C)(=O)=O)c2cc[nH]c2c1- InChIKey
DGYZGFGGPKDOOU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S
- Average molar mass
- 282.32 g/mol
Names & identifiers
- Preferred name
- methyl 4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylate
- IUPAC
- methyl 4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylate
Names & synonyms
SCHEMBL3351184DGYZGFGGPKDOOU-UHFFFAOYSA-Nmethyl 4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylate
Database identifiers
- PubChem CID
- 21086207
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
5 records
Compound notes
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