N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O4S2 — CID 59046741

IUPACN-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCN(CC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(13,14)9-15(11,12)5(6,7)8/h9H,3-4H2,1-2H3
InChIKeyDXHRMTKHWRVJKP-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.01
Rot. Bonds5

About N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide

N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 59046741) has the molecular formula C5H11F3N2O4S2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID59046741
Molecular FormulaC5H11F3N2O4S2
Molecular Weight284.28 g/mol
Exact Mass284.01
IUPAC NameN-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCN(CC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(13,14)9-15(11,12)5(6,7)8/h9H,3-4H2,1-2H3
InChIKeyDXHRMTKHWRVJKP-UHFFFAOYSA-N
XLogP0.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(diethylsulfamoyl)-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-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide (CID 59046741) is N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide is CCN(CC)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DXHRMTKHWRVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(13,14)9-15(11,12)5(6,7)8/h9H,3-4H2,1-2H3.
What are the key properties of N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 284.28 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59046741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).