Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-
Basic information
- CAS
68516-48-3- Standard SMILES
CC(=O)CC(=O)Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1- InChIKey
MEFNHSZVQXGNFR-UHFFFAOYSA-N- Molecular formula
- C12H15NO8S2
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.02390878
Names & identifiers
- Preferred name
- Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-
- IUPAC
- 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate
- English name
- 3-oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide
- Molecular formula
- C12H15NO8S2
- Molecular weight
- 365.3794
Names & synonyms
EINECS 271-155-1Butanamide, 3-oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-DTXSID7071579Butanamide, N-(4-((2-sulfooxyethyl)sulfonyl)phenyl)-3-oxo-Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-RefChem:570666DTXCID704604568516-48-3SCHEMBL7883047MEFNHSZVQXGNFR-UHFFFAOYSA-NNS000629923-Oxo-N-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)butyramide
Show more names
3-Oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]butanamide3-oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide
2-[4-(3-Oxobutanamido)benzene-1-sulfonyl]ethyl hydrogen sulfate
Database identifiers
- CAS
68516-48-3- PubChem CID
- 110407
- DTXSID
DTXSID7071579- EC Number
- 271-155-1
- Nikkaji
- J332.469I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- EPA Substance Registry System
- 3 · Butanamide, 3-oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]- (68516-48-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, 3-oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-: INACTIVE
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Related reactions
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Compound notes
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