2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide

C4H9F2NO4S2 — CID 89220075

IUPAC2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide
SMILESCC(F)(F)CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C4H9F2NO4S2/c1-4(5,6)3-13(10,11)7-12(2,8)9/h7H,3H2,1-2H3
InChIKeyPJTGSVGHOJQFET-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.48
Rot. Bonds4

About 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide

2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide (PubChem CID 89220075) has the molecular formula C4H9F2NO4S2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide
PubChem CID89220075
Molecular FormulaC4H9F2NO4S2
Molecular Weight237.25 g/mol
Exact Mass236.99
IUPAC Name2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide
SMILESCC(F)(F)CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C4H9F2NO4S2/c1-4(5,6)3-13(10,11)7-12(2,8)9/h7H,3H2,1-2H3
InChIKeyPJTGSVGHOJQFET-UHFFFAOYSA-N
XLogP-0.48
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide (CID 89220075) is 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide is CC(F)(F)CS(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide?
The InChIKey is PJTGSVGHOJQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO4S2/c1-4(5,6)3-13(10,11)7-12(2,8)9/h7H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide?
2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide has a molecular weight of 237.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 89220075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).