N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide

C7H15F3N2O4S2 — CID 59046694

IUPACN-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCN(CCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(15,16)11-17(13,14)7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyCHXGJRCJGWSLTH-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.79
Rot. Bonds7

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

N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 59046694) has the molecular formula C7H15F3N2O4S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID59046694
Molecular FormulaC7H15F3N2O4S2
Molecular Weight312.34 g/mol
Exact Mass312.04
IUPAC NameN-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCN(CCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(15,16)11-17(13,14)7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyCHXGJRCJGWSLTH-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(dipropylsulfamoyl)-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-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide (CID 59046694) is N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide is CCCN(CCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is CHXGJRCJGWSLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(15,16)11-17(13,14)7(8,9)10/h11H,3-6H2,1-2H3.
What are the key properties of N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide?
N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).