3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid

C4H7F2NO5S — CID 66165665

IUPAC3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO5S/c5-4(6)13(11,12)7-1-2(8)3(9)10/h2,4,7-8H,1H2,(H,9,10)
InChIKeyAGULYBTZLMNTDP-UHFFFAOYSA-N
MW219.16 g/mol
LogP-1.43
Rot. Bonds5

About 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid

3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid (PubChem CID 66165665) has the molecular formula C4H7F2NO5S and a molecular weight of 219.16 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid
PubChem CID66165665
Molecular FormulaC4H7F2NO5S
Molecular Weight219.16 g/mol
Exact Mass219.00
IUPAC Name3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO5S/c5-4(6)13(11,12)7-1-2(8)3(9)10/h2,4,7-8H,1H2,(H,9,10)
InChIKeyAGULYBTZLMNTDP-UHFFFAOYSA-N
XLogP-1.43
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid (CID 66165665) is 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid is O=C(O)C(O)CNS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid?
The InChIKey is AGULYBTZLMNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO5S/c5-4(6)13(11,12)7-1-2(8)3(9)10/h2,4,7-8H,1H2,(H,9,10).
What are the key properties of 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid?
3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid has a molecular weight of 219.16 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66165665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).