1H-Indole-1-acetic acid, 3-[(4-chlorophenyl)sulfonyl]-2-methyl-4-phenyl-
Basic information
- CAS
646515-36-8- Standard SMILES
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2c(-c3ccccc3)cccc2n1CC(=O)O- InChIKey
ZQEDEGGYGPOLKS-UHFFFAOYSA-N- Molecular formula
- C23H18ClNO4S
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.0645069
Names & identifiers
- Preferred name
- 1H-Indole-1-acetic acid, 3-[(4-chlorophenyl)sulfonyl]-2-methyl-4-phenyl-
- IUPAC
- 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylindol-1-yl]acetic acid
Names & synonyms
1H-Indole-1-acetic acid, 3-[(4-chlorophenyl)sulfonyl]-2-methyl-4-phenyl-646515-36-8SCHEMBL3001517DTXSID30435523[3-(4-Chlorobenzene-1-sulfonyl)-2-methyl-4-phenyl-1H-indol-1-yl]acetic acid
Database identifiers
- CAS
646515-36-8- PubChem CID
- 10094751
- DTXSID
DTXSID30435523
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 709
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Compound notes
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