[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide

C4H8F3N2O4S2- — CID 59046682

IUPAC[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
SMILESCCN(C)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h3H2,1-2H3/q-1
InChIKeyWGKKDQZDFYENGF-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.41
Rot. Bonds4

About [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide

[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide (PubChem CID 59046682) has the molecular formula C4H8F3N2O4S2- and a molecular weight of 269.25 g/mol. Its IUPAC name is [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
PubChem CID59046682
Molecular FormulaC4H8F3N2O4S2-
Molecular Weight269.25 g/mol
Exact Mass268.99
IUPAC Name[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
SMILESCCN(C)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h3H2,1-2H3/q-1
InChIKeyWGKKDQZDFYENGF-UHFFFAOYSA-N
XLogP0.41
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide (CID 59046682) is [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide is CCN(C)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide?
The InChIKey is WGKKDQZDFYENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h3H2,1-2H3/q-1.
What are the key properties of [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide?
[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide has a molecular weight of 269.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).