1H-Indole-3-carboxylic acid, 5-(4-morpholinylsulfonyl)-
Basic information
- CAS
120729-96-6- Standard SMILES
O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12- InChIKey
GBSJAXQEEOQIFP-UHFFFAOYSA-N- Molecular formula
- C13H14N2O5S
- Average molar mass
- 310.33 g/mol
- Monoisotopic mass
- 310.06234272
Overview
5-(4-morpholinylsulfonyl)-1H-indole-3-carboxylic acid is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 5-(4-morpholinylsulfonyl)-
- IUPAC
- 5-morpholin-4-ylsulfonyl-1H-indole-3-carboxylic acid
Names & synonyms
120729-96-65-(4-Morpholinylsulfonyl)-1H-indole-3-carboxylic acidBRN 35666691H-Indole-3-carboxylic acid, 5-(4-morpholinylsulfonyl)-DTXSID60152993RefChem:239103DTXCID10754845-(Morpholinosulfonyl)-1H-indole-3-carboxylic acid5-morpholin-4-ylsulfonyl-1H-indole-3-carboxylic acid5-(MORPHOLINE-4-SULFONYL)-1H-INDOLE-3-CARBOXYLIC ACIDOprea1_598218MLS000071202
Show more names
CHEMBL1439754CHEBI:107728HMS2337I06STK700060AKOS005607699NCGC00018572-01NCGC00018572-02SMR000039067
Database identifiers
- CAS
120729-96-6- PubChem CID
- 658161
- DTXSID
DTXSID60152993- ChEMBL
CHEMBL1439754- ChEBI
CHEBI:107728
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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