N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

C4H9F3N2O4S2 — CID 59046683

IUPACN-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h8H,3H2,1-2H3
InChIKeyGMKWLBZYUFBNHO-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.38
Rot. Bonds4

About N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 59046683) has the molecular formula C4H9F3N2O4S2 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID59046683
Molecular FormulaC4H9F3N2O4S2
Molecular Weight270.25 g/mol
Exact Mass270.00
IUPAC NameN-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h8H,3H2,1-2H3
InChIKeyGMKWLBZYUFBNHO-UHFFFAOYSA-N
XLogP-0.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (CID 59046683) is N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is CCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GMKWLBZYUFBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(12,13)8-14(10,11)4(5,6)7/h8H,3H2,1-2H3.
What are the key properties of N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 270.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59046683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).