2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid

C7H4F11NO4S — CID 21267707

IUPAC2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F11NO4S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)24(22,23)19-1-2(20)21/h19H,1H2,(H,20,21)
InChIKeyLQFCGTRMRYTKLO-UHFFFAOYSA-N
MW407.16 g/mol
LogP2.05
Rot. Bonds7

About 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid (PubChem CID 21267707) has the molecular formula C7H4F11NO4S and a molecular weight of 407.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid
PubChem CID21267707
Molecular FormulaC7H4F11NO4S
Molecular Weight407.16 g/mol
Exact Mass406.97
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F11NO4S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)24(22,23)19-1-2(20)21/h19H,1H2,(H,20,21)
InChIKeyLQFCGTRMRYTKLO-UHFFFAOYSA-N
XLogP2.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluorooctane sulfonamidoacetic acid
CID 10507011
(Perfluorobutyl) sulfonamido acetic acid
CID 10784527
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
Perfluorononane sulfonamido acetic acid
CID 163324089

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid (CID 21267707) is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid?
The InChIKey is LQFCGTRMRYTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F11NO4S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)24(22,23)19-1-2(20)21/h19H,1H2,(H,20,21).
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid?
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid has a molecular weight of 407.16 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)acetic acid is sourced from PubChem (CID 21267707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).