N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
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Basic information
- CAS
615273-75-1- Standard SMILES
Cc1ccccc1C(=O)NC1CCS(=O)(=O)C1- InChIKey
XCGMQBNZFYJDNN-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.07726451
Names & identifiers
- Preferred name
- N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
- IUPAC
- N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
- English name
- Benzamide, 2-methyl-N-(tetrahydro-1,1-dioxido-3-thienyl)- (9CI)
- Molecular formula
- C12H15NO3S
- Molecular weight
- 253.32
Names & synonyms
615273-75-1N-(1,1-dioxidotetrahydro-3-thienyl)-2-methylbenzamideBENZAMIDE, 2-METHYL-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-AF-399/42100195N-(1,1-dioxothiolan-3-yl)-2-methylbenzamideF1425-0688MLS000535523CHEMBL1529604SCHEMBL13162871DTXSID00387924HMS2337J10AKOS001444450
Show more names
Benzamide, 2-methyl-N-(tetrahydro-1,1-dioxido-3-thienyl)- (9CI)
AKOS016235574SMR000142958DB-284920ST50068153SR-01000265212SR-01000265212-1N-(1,1-dioxothiolan-3-yl)(2-methylphenyl)carboxamideZ57240629
Database identifiers
- CAS
615273-75-1- PubChem CID
- 2942276
- DTXSID
DTXSID00387924- ChEMBL
CHEMBL1529604
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
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Compound notes
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