Basic information
- Standard SMILES
CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(NS(=O)(=O)c2ccccc2)cc1- InChIKey
UVZYPOOYULOYLX-UHFFFAOYSA-N- Molecular formula
- C24H24N2O4S
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-(4-(phenylsulfonamido)phenyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
- IUPAC
- 2-[4-(benzenesulfonamido)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
Names & synonyms
SCHEMBL2529625UVZYPOOYULOYLX-UHFFFAOYSA-N3,3-dimethyl-2-(4-(phenylsulfonamido)phenyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Database identifiers
- PubChem CID
- 58476147
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 733
Related reactions
3 records
Compound notes
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