N-[(4-Fluoro-2-methylphenyl)sulfonyl]glycine
Basic information
- CAS
670260-30-7- Standard SMILES
Cc1cc(F)ccc1S(=O)(=O)NCC(=O)O- InChIKey
GKTIRCMUAIDOMF-UHFFFAOYSA-N- Molecular formula
- C9H10FNO4S
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.03145714
Names & identifiers
- Preferred name
- N-[(4-Fluoro-2-methylphenyl)sulfonyl]glycine
- IUPAC
- 2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetic acid
- English name
- CHEMBRDG-BB 7748265
- Molecular formula
- C9H10FNO4S
- Molecular weight
- 247.24
Names & synonyms
670260-30-7N-[(4-FLUORO-2-METHYLPHENYL)SULFONYL]GLYCINEMFCD044931542-(4-Fluoro-2-methylphenylsulfonamido)acetic acid2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetic acidAP-906/42698787SCHEMBL8034986DTXSID80351481AKOS002386679BS-38392DB-1885512-(4-Fluoro-2-methylphenylsulfonamido)aceticacid
Show more names
CHEMBRDG-BB 7748265OTAVA-BB 7117841020N-((4-FLUORO-2-METHYLPHENYL)SULFONYL)GLYCINEGlycine, N-[(4-fluoro-2-methylphenyl)sulfonyl]-N-[(4-fluoro-2-methylphenyl)sulfonyl]glycine(SALTDATA: FREE)
N-(4-Fluoro-2-methylbenzene-1-sulfonyl)glycineF3155542-(4-fluoro-2-methylbenzenesulfonamido)acetic acid{[(4-fluoro-2-methylphenyl)sulfonyl]amino}acetic acid2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]acetic acid
Database identifiers
- CAS
670260-30-7- PubChem CID
- 701153
- DTXSID
DTXSID80351481
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 431.4 · 431.4±55.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 3.3 · 3.30±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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