Basic information
- CAS
3077-57-4- Standard SMILES
CCOP(=O)(Oc1ccc(S(=O)(=O)N(C)C)cc1)N(C)C- InChIKey
AIDAMHABCAONPR-UHFFFAOYSA-N- Molecular formula
- C12H21N2O5PS
- Average molar mass
- 336.35 g/mol
- Monoisotopic mass
- 336.09087995
Names & identifiers
- Preferred name
- 4-(Dimethylsulfamoyl)phenyl ethyl N,N-dimethylphosphoramidate
- IUPAC
- 4-[dimethylamino(ethoxy)phosphoryl]oxy-N,N-dimethylbenzenesulfonamide
- English name
- N,N-Dimethylphosporamidic acid ethyl 4-(dimethylaminosulfonyl)phenyl ester
- Molecular formula
- C12H21N2O5PS
- Molecular weight
- 336.34
Names & synonyms
3077-57-4DTXSID309529824-(Dimethylsulfamoyl)phenyl ethyl N,N-dimethylphosphoramidateRefChem:1070112DTXCID501381048O-(p-Dimethylsulfamoyl)phenyl O-ethyl dimethylphosphoramidateBRN 2707793Benzenesulfonamide, N,N-dimethyl-p-hydroxy-, O-ester with O-ethyl dimethylphosphoranidatePhosphoramidic acid, dimethyl-, O-ethyl ester, O-ester with N,N-dimethyl-p-hydroxybenzene sulfonamideN,N-Dimethylphosporamidic acid ethyl 4-(dimethylaminosulfonyl)phenyl esterPhosphoramidic acid, dimethyl-, ethyl ester, ester with p-hydroxy-N,N-dimethylbenzenesulfonamide (7CI,8CI)
Database identifiers
- CAS
3077-57-4- PubChem CID
- 200992
- DTXSID
DTXSID30952982- Nikkaji
- J50.365G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 417.4 · 417.4±55.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- -1.71 · -1.71±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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