N-[(4-fluoro-3-methylphenyl)sulfonyl]glycine
Basic information
- CAS
670260-29-4- Standard SMILES
Cc1cc(S(=O)(=O)NCC(=O)O)ccc1F- InChIKey
AEHCUJFRMRNWTB-UHFFFAOYSA-N- Molecular formula
- C9H10FNO4S
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.03145714
Overview
2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid is a sulfonamide.
Names & identifiers
- Preferred name
- N-[(4-fluoro-3-methylphenyl)sulfonyl]glycine
- IUPAC
- 2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid
- English name
- CHEMBRDG-BB 7750755
- Molecular formula
- C9H10FNO4S
- Molecular weight
- 247.24
Names & synonyms
670260-29-4N-[(4-fluoro-3-methylphenyl)sulfonyl]glycineMFCD057413082-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid2-(4-fluoro-3-methylbenzenesulfonamido)acetic acid((4-Fluoro-3-methylphenyl)sulfonyl)glycine2-(4-Fluoro-3-methylphenylsulfonamido)acetic acidSMR000075893regid4258166CBKinase1_005860CBKinase1_018260MLS000064073
Show more names
CHEMBRDG-BB 7750755OTAVA-BB 7117841019N-((4-FLUORO-3-METHYLPHENYL)SULFONYL)GLYCINEGlycine, N-[(4-fluoro-3-methylphenyl)sulfonyl]-N-[(4-fluoro-3-methylphenyl)sulfonyl]glycine(SALTDATA: FREE)
CHEMBL2358390CHEBI:94000DTXSID20351480HMS2346N10AKOS002386669BS-36243DB-188552CS-0362727
Database identifiers
- CAS
670260-29-4
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
- 435.5 · 435.5±55.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 3.3 · 3.30±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid is a sulfonamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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