4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid

C6H11F3N2O4S — CID 114805170

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O4S/c7-6(8,9)4-11-16(14,15)10-3-1-2-5(12)13/h10-11H,1-4H2,(H,12,13)
InChIKeyGANMXCZQHWTUHP-UHFFFAOYSA-N
MW264.22 g/mol
LogP-0.16
Rot. Bonds7

About 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid

4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid (PubChem CID 114805170) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.22 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
PubChem CID114805170
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O4S/c7-6(8,9)4-11-16(14,15)10-3-1-2-5(12)13/h10-11H,1-4H2,(H,12,13)
InChIKeyGANMXCZQHWTUHP-UHFFFAOYSA-N
XLogP-0.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Sulfoamino)butanoic acid
CID 71349511
4-(Trifluoromethylsulfonylamino)butanoic acid
CID 21886430
4-Aminobutanoic acid;2,2,2-trifluoroacetic acid
CID 86111305
2,2,2-Trifluoroacetic acid;4-(trifluoromethylsulfonylamino)butanoic acid
CID 87783255
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
4-(Difluoromethylsulfonylamino)butanoic acid
CID 28606633
3-(2,2,2-Trifluoroethylsulfamoylamino)propanoic acid
CID 114805153
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
4-(2,2,2-Trifluoroethylsulfamoylamino)pentanoic acid
CID 114806230
2-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806704
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806731

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid (CID 114805170) is 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The InChIKey is GANMXCZQHWTUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O4S/c7-6(8,9)4-11-16(14,15)10-3-1-2-5(12)13/h10-11H,1-4H2,(H,12,13).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid has a molecular weight of 264.22 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114805170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).