2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

C6H14F2N2O3S — CID 167049004

IUPAC2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C6H14F2N2O3S/c1-5(2)10(14(9,12)13)3-6(7,8)4-11/h5,11H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyXGYLKWSNBJUNQQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.47
Rot. Bonds5

About 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (PubChem CID 167049004) has the molecular formula C6H14F2N2O3S and a molecular weight of 232.25 g/mol. Its IUPAC name is 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
PubChem CID167049004
Molecular FormulaC6H14F2N2O3S
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C6H14F2N2O3S/c1-5(2)10(14(9,12)13)3-6(7,8)4-11/h5,11H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyXGYLKWSNBJUNQQ-UHFFFAOYSA-N
XLogP-0.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The IUPAC name of 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (CID 167049004) is 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.
What is the SMILES notation for 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The canonical SMILES for 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is CC(C)N(CC(F)(F)CO)S(N)(=O)=O.
What is the InChIKey of 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The InChIKey is XGYLKWSNBJUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O3S/c1-5(2)10(14(9,12)13)3-6(7,8)4-11/h5,11H,3-4H2,1-2H3,(H2,9,12,13).
What are the key properties of 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane has a molecular weight of 232.25 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is sourced from PubChem (CID 167049004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).