N-(trifluoromethyl)cyclopropanesulfonamide

C4H6F3NO2S — CID 68944955

IUPACN-(trifluoromethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC(F)(F)F)C1CC1
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)8-11(9,10)3-1-2-3/h3,8H,1-2H2
InChIKeyPYPLTPNOOJGCFH-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.59
Rot. Bonds2

About N-(trifluoromethyl)cyclopropanesulfonamide

N-(trifluoromethyl)cyclopropanesulfonamide (PubChem CID 68944955) has the molecular formula C4H6F3NO2S and a molecular weight of 189.16 g/mol. Its IUPAC name is N-(trifluoromethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)cyclopropanesulfonamide
PubChem CID68944955
Molecular FormulaC4H6F3NO2S
Molecular Weight189.16 g/mol
Exact Mass189.01
IUPAC NameN-(trifluoromethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC(F)(F)F)C1CC1
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)8-11(9,10)3-1-2-3/h3,8H,1-2H2
InChIKeyPYPLTPNOOJGCFH-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(trifluoromethyl)cyclopropanesulfonamide 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-(trifluoromethyl)cyclopropanesulfonamide?
The IUPAC name of N-(trifluoromethyl)cyclopropanesulfonamide (CID 68944955) is N-(trifluoromethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(trifluoromethyl)cyclopropanesulfonamide?
The canonical SMILES for N-(trifluoromethyl)cyclopropanesulfonamide is O=S(=O)(NC(F)(F)F)C1CC1.
What is the InChIKey of N-(trifluoromethyl)cyclopropanesulfonamide?
The InChIKey is PYPLTPNOOJGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2S/c5-4(6,7)8-11(9,10)3-1-2-3/h3,8H,1-2H2.
What are the key properties of N-(trifluoromethyl)cyclopropanesulfonamide?
N-(trifluoromethyl)cyclopropanesulfonamide has a molecular weight of 189.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)cyclopropanesulfonamide is sourced from PubChem (CID 68944955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).