2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane

C3H8F2N2O3S — CID 104858647

IUPAC2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane
SMILESNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C3H8F2N2O3S/c4-3(5,2-8)1-7-11(6,9)10/h7-8H,1-2H2,(H2,6,9,10)
InChIKeyHMLQEAQRHFXIBO-UHFFFAOYSA-N
MW190.17 g/mol
LogP-1.59
Rot. Bonds4

About 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane

2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane (PubChem CID 104858647) has the molecular formula C3H8F2N2O3S and a molecular weight of 190.17 g/mol. Its IUPAC name is 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane
PubChem CID104858647
Molecular FormulaC3H8F2N2O3S
Molecular Weight190.17 g/mol
Exact Mass190.02
IUPAC Name2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane
SMILESNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C3H8F2N2O3S/c4-3(5,2-8)1-7-11(6,9)10/h7-8H,1-2H2,(H2,6,9,10)
InChIKeyHMLQEAQRHFXIBO-UHFFFAOYSA-N
XLogP-1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane?
The IUPAC name of 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane (CID 104858647) is 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane.
What is the SMILES notation for 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane?
The canonical SMILES for 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane is NS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane?
The InChIKey is HMLQEAQRHFXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O3S/c4-3(5,2-8)1-7-11(6,9)10/h7-8H,1-2H2,(H2,6,9,10).
What are the key properties of 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane?
2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane has a molecular weight of 190.17 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-hydroxy-3-(sulfamoylamino)propane is sourced from PubChem (CID 104858647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).