2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid

C5H6F5NO4S — CID 130374951

IUPAC2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C5H6F5NO4S/c6-2-4(7,8)5(9,10)16(14,15)11-1-3(12)13/h11H,1-2H2,(H,12,13)
InChIKeyPSFJORBGTIRXDU-UHFFFAOYSA-N
MW271.16 g/mol
LogP0.19
Rot. Bonds6

About 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid

2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid (PubChem CID 130374951) has the molecular formula C5H6F5NO4S and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid
PubChem CID130374951
Molecular FormulaC5H6F5NO4S
Molecular Weight271.16 g/mol
Exact Mass270.99
IUPAC Name2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C5H6F5NO4S/c6-2-4(7,8)5(9,10)16(14,15)11-1-3(12)13/h11H,1-2H2,(H,12,13)
InChIKeyPSFJORBGTIRXDU-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluorooctane sulfonamidoacetic acid
CID 10507011
(Perfluorobutyl) sulfonamido acetic acid
CID 10784527
2-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentylsulfonylamino)acetic acid
CID 21267707
FHxSAA
CID 139596791
Sodium (perfluorobutanesulfonamido)acetate
CID 131726214
Perfluoroheptane sulfonamido acetic acid
CID 139595852
N-[(trifluoromethyl)sulfonyl]glycine
CID 3797093
Perfluorodecane sulfonamido acetic acid
CID 21267714
2-(Perfluorobutylsulfonamido)propanoic Acid
CID 10642942
2-[[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid
CID 23245249
N-[(Perfluoroethyl)sulfonyl]glycine
CID 163324087
N-[(Perfluoropropyl)sulfonyl]glycine
CID 163324088

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid?
The IUPAC name of 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid (CID 130374951) is 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid?
The canonical SMILES for 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid?
The InChIKey is PSFJORBGTIRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S/c6-2-4(7,8)5(9,10)16(14,15)11-1-3(12)13/h11H,1-2H2,(H,12,13).
What are the key properties of 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid?
2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid has a molecular weight of 271.16 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3-pentafluoropropylsulfonylamino)acetic acid is sourced from PubChem (CID 130374951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).