propane-1-sulfonamide;2,2,2-trifluoroacetic acid

C5H10F3NO4S — CID 87812647

IUPACpropane-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCCCS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO2S.C2HF3O2/c1-2-3-7(4,5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,4,5,6);(H,6,7)
InChIKeyWDZCGEMUTDSEAL-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.32
Rot. Bonds2

About propane-1-sulfonamide;2,2,2-trifluoroacetic acid

propane-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 87812647) has the molecular formula C5H10F3NO4S and a molecular weight of 237.20 g/mol. Its IUPAC name is propane-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepropane-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID87812647
Molecular FormulaC5H10F3NO4S
Molecular Weight237.20 g/mol
Exact Mass237.03
IUPAC Namepropane-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCCCS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO2S.C2HF3O2/c1-2-3-7(4,5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,4,5,6);(H,6,7)
InChIKeyWDZCGEMUTDSEAL-UHFFFAOYSA-N
XLogP0.32
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of propane-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 87812647) is propane-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for propane-1-sulfonamide;2,2,2-trifluoroacetic acid is CCCS(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is WDZCGEMUTDSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S.C2HF3O2/c1-2-3-7(4,5)6;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,4,5,6);(H,6,7).
What are the key properties of propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
propane-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 237.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87812647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).