(Benzenesulfonylfuran-2-ylmethylamino)-acetic acid
Basic information
- CAS
337494-85-6- Standard SMILES
O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1- InChIKey
CJROUZFQNICTKL-UHFFFAOYSA-N- Molecular formula
- C13H13NO5S
- Average molar mass
- 295.31 g/mol
- Monoisotopic mass
- 295.05144369
Names & identifiers
- Preferred name
- (Benzenesulfonylfuran-2-ylmethylamino)-acetic acid
- IUPAC
- 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
- English name
- (Benzenesulfonyl-furan-2-ylmethyl-amino)-acetic acid
- Molecular formula
- C13H13NO5S
- Molecular weight
- 295.31
Names & synonyms
337494-85-6(Benzenesulfonylfuran-2-ylmethylamino)-acetic acid2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acidN-(furan-2-ylmethyl)-N-(phenylsulfonyl)glycine2-(N-(Furan-2-ylmethyl)phenylsulfonamido)acetic acidWAY-117885(Benzenesulfonyl-furan-2-ylmethyl-amino)-acetic acidN-(Benzenesulfonyl)-N-[(furan-2-yl)methyl]glycine2-[(2-furylmethyl)(phenylsulfonyl)amino]acetic acidCBMicro_021633Oprea1_144757Oprea1_799684
Show more names
ASISCHEM N57302Glycine, N-(2-furanylmethyl)-N-(phenylsulfonyl)-
MLS000108312CHEMBL1504395DTXSID00351983HMS2180J18CCG-13459MFCD01900810SBB027925STL025594
Database identifiers
- CAS
337494-85-6- PubChem CID
- 716043
- DTXSID
DTXSID00351983- ChEMBL
CHEMBL1504395
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 504.3 · 504.3±60.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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