1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide

C5H9F4NO5S2 — CID 59833689

IUPAC1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)CC(F)(F)SOOO
InChIInChI=1S/C5H9F4NO5S2/c1-10(2)17(12,13)5(8,9)3-4(6,7)16-15-14-11/h11H,3H2,1-2H3
InChIKeySZRLBWFQACUNNU-UHFFFAOYSA-N
MW303.26 g/mol
LogP1.52
Rot. Bonds7

About 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide

1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide (PubChem CID 59833689) has the molecular formula C5H9F4NO5S2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide
PubChem CID59833689
Molecular FormulaC5H9F4NO5S2
Molecular Weight303.26 g/mol
Exact Mass302.99
IUPAC Name1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)CC(F)(F)SOOO
InChIInChI=1S/C5H9F4NO5S2/c1-10(2)17(12,13)5(8,9)3-4(6,7)16-15-14-11/h11H,3H2,1-2H3
InChIKeySZRLBWFQACUNNU-UHFFFAOYSA-N
XLogP1.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide?
The IUPAC name of 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide (CID 59833689) is 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide is CN(C)S(=O)(=O)C(F)(F)CC(F)(F)SOOO.
What is the InChIKey of 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide?
The InChIKey is SZRLBWFQACUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO5S2/c1-10(2)17(12,13)5(8,9)3-4(6,7)16-15-14-11/h11H,3H2,1-2H3.
What are the key properties of 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide?
1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide has a molecular weight of 303.26 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-N,N-dimethyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide is sourced from PubChem (CID 59833689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).