Methyl 4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoate
Basic information
- CAS
850018-67-6- Standard SMILES
COC(=O)c1ccc(CN(C)S(=O)(=O)c2cccs2)cc1- InChIKey
GOUSHUXSBVHPHP-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.04425031
Names & identifiers
- Preferred name
- Methyl 4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoate
- IUPAC
- methyl 4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoate
Names & synonyms
methyl 4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoateMLS001233865CHEMBL1461145DTXSID001332634HMS2896G11AKOS017028036850018-67-6SMR000589501AB00731027-01Z26005019Methyl 4-{[methyl(thiophene-2-sulfonyl)amino]methyl}benzoate
Database identifiers
- CAS
850018-67-6- PubChem CID
- 2595370
- DTXSID
DTXSID001332634- ChEMBL
CHEMBL1461145
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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