Basic information
- CAS
114149-35-8- Standard SMILES
Cc1ccccc1S(=O)(=O)NC1Cc2ccc(C(=O)CCC(=O)O)cc2C1- InChIKey
MFJJKVJKVBKULO-UHFFFAOYSA-N- Molecular formula
- C20H21NO5S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.11404394
Names & identifiers
- Preferred name
- 1H-Indene-5-butanoic acid, 2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-gamma-oxo-
- IUPAC
- 4-[2-[(2-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
Names & synonyms
4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid114149-35-81H-Indene-5-butanoic acid, 2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-gamma-oxo-2,3-Dihydro-2-(((4-methylphenyl)sulfonyl)amino)-gamma-oxo-1H-indene-5-butanoic acidRefChem:238582SCHEMBL10405667DTXSID009212814-[2-(2-Methylbenzene-1-sulfonamido)-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid4-{2-[(2-Methylbenzene-1-sulfonyl)amino]-2,3-dihydro-1H-inden-5-yl}-4-oxobutanoic acid
Database identifiers
- CAS
114149-35-8- PubChem CID
- 3087366
- DTXSID
DTXSID00921281
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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