2-[difluoromethyl(sulfamoyl)amino]propane

C4H10F2N2O2S — CID 164757955

IUPAC2-[difluoromethyl(sulfamoyl)amino]propane
SMILESCC(C)N(C(F)F)S(N)(=O)=O
InChIInChI=1S/C4H10F2N2O2S/c1-3(2)8(4(5)6)11(7,9)10/h3-4H,1-2H3,(H2,7,9,10)
InChIKeyJLYHNSCQISWXJL-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.12
Rot. Bonds3

About 2-[difluoromethyl(sulfamoyl)amino]propane

2-[difluoromethyl(sulfamoyl)amino]propane (PubChem CID 164757955) has the molecular formula C4H10F2N2O2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-[difluoromethyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name2-[difluoromethyl(sulfamoyl)amino]propane
PubChem CID164757955
Molecular FormulaC4H10F2N2O2S
Molecular Weight188.20 g/mol
Exact Mass188.04
IUPAC Name2-[difluoromethyl(sulfamoyl)amino]propane
SMILESCC(C)N(C(F)F)S(N)(=O)=O
InChIInChI=1S/C4H10F2N2O2S/c1-3(2)8(4(5)6)11(7,9)10/h3-4H,1-2H3,(H2,7,9,10)
InChIKeyJLYHNSCQISWXJL-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethyl(sulfamoyl)amino]propane?
The IUPAC name of 2-[difluoromethyl(sulfamoyl)amino]propane (CID 164757955) is 2-[difluoromethyl(sulfamoyl)amino]propane.
What is the SMILES notation for 2-[difluoromethyl(sulfamoyl)amino]propane?
The canonical SMILES for 2-[difluoromethyl(sulfamoyl)amino]propane is CC(C)N(C(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[difluoromethyl(sulfamoyl)amino]propane?
The InChIKey is JLYHNSCQISWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O2S/c1-3(2)8(4(5)6)11(7,9)10/h3-4H,1-2H3,(H2,7,9,10).
What are the key properties of 2-[difluoromethyl(sulfamoyl)amino]propane?
2-[difluoromethyl(sulfamoyl)amino]propane has a molecular weight of 188.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethyl(sulfamoyl)amino]propane is sourced from PubChem (CID 164757955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).