methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide

C3H5F3NO4S2- — CID 59074123

IUPACmethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3NO4S2/c1-12(8,9)7-13(10,11)2-3(4,5)6/h2H2,1H3/q-1
InChIKeyKUTCTXMAIFMRJB-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.21
Rot. Bonds3

About methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide

methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide (PubChem CID 59074123) has the molecular formula C3H5F3NO4S2- and a molecular weight of 240.20 g/mol. Its IUPAC name is methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide.

Molecular Properties

Compound Namemethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
PubChem CID59074123
Molecular FormulaC3H5F3NO4S2-
Molecular Weight240.20 g/mol
Exact Mass239.96
IUPAC Namemethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3NO4S2/c1-12(8,9)7-13(10,11)2-3(4,5)6/h2H2,1H3/q-1
InChIKeyKUTCTXMAIFMRJB-UHFFFAOYSA-N
XLogP0.21
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The IUPAC name of methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide (CID 59074123) is methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide.
What is the SMILES notation for methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The canonical SMILES for methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide is CS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F.
What is the InChIKey of methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The InChIKey is KUTCTXMAIFMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3NO4S2/c1-12(8,9)7-13(10,11)2-3(4,5)6/h2H2,1H3/q-1.
What are the key properties of methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide has a molecular weight of 240.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide is sourced from PubChem (CID 59074123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).