Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)cc1Cl- InChIKey
MYZJGZJKOHKHQV-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O4S
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0441058
Names & identifiers
- Preferred name
- [1-(3-chloro-4-methyl-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
- IUPAC
- 2-[1-(3-chloro-4-methylphenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Names & synonyms
SCHEMBL1940041MYZJGZJKOHKHQV-UHFFFAOYSA-N[1-(3-chloro-4-methyl-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
Database identifiers
- PubChem CID
- 11675287
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 608
Related reactions
6 records
Compound notes
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