1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide

C6H12F3NO3S2 — CID 106433684

IUPAC1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C6H12F3NO3S2/c1-5(4-11)15(12,13)10-2-3-14-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyWXPVBNCXXSFMIO-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.54
Rot. Bonds6

About 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide

1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide (PubChem CID 106433684) has the molecular formula C6H12F3NO3S2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide
PubChem CID106433684
Molecular FormulaC6H12F3NO3S2
Molecular Weight267.29 g/mol
Exact Mass267.02
IUPAC Name1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C6H12F3NO3S2/c1-5(4-11)15(12,13)10-2-3-14-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyWXPVBNCXXSFMIO-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide (CID 106433684) is 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide is CC(CO)S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide?
The InChIKey is WXPVBNCXXSFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S2/c1-5(4-11)15(12,13)10-2-3-14-6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide?
1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide has a molecular weight of 267.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).