N-[(4-Ethylphenyl)sulfonyl]glycine
Basic information
- CAS
670255-99-9- Standard SMILES
CCc1ccc(S(=O)(=O)NCC(=O)O)cc1- InChIKey
NEBZXTVUBKKTEG-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.05652907
Names & identifiers
- Preferred name
- N-[(4-Ethylphenyl)sulfonyl]glycine
- IUPAC
- 2-[(4-ethylphenyl)sulfonylamino]acetic acid
- English name
- N-((4-Ethylphenyl)sulfonyl)glycine
- Molecular formula
- C10H13NO4S
- Molecular weight
- 243.28
Names & synonyms
670255-99-9N-[(4-ETHYLPHENYL)SULFONYL]GLYCINEN-(4-Ethylbenzene-1-sulfonyl)glycine2-[(4-ethylphenyl)sulfonylamino]acetic acid2-(4-Ethylphenylsulfonamido)acetic acid2-(4-ethylbenzenesulfonamido)acetic acid((4-Ethylphenyl)sulfonyl)glycineMFCD04212960CBKinase1_004328CBKinase1_016728AE-641/42130591DTXSID10353892
Show more names
OTAVA-BB 7116410551N-((4-Ethylphenyl)sulfonyl)glycineGlycine, N-[(4-ethylphenyl)sulfonyl]-N-[(4-ethylphenyl)sulfonyl]glycine(SALTDATA: FREE)
HMS1616B16AKOS0016945192-(4-Ethylphenylsulfonamido)aceticacidNCGC00341624-01BS-36354DB-209746{[(4-ethylphenyl)sulfonyl]amino}acetic acidCS-0322674
Database identifiers
- CAS
670255-99-9- PubChem CID
- 757399
- DTXSID
DTXSID10353892
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 433.9 · 433.9±55.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
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Compound notes
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