3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

C7H11ClF3NO2S — CID 106216715

IUPAC3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11ClF3NO2S/c8-4-1-5-15(13,14)12-6(2-3-6)7(9,10)11/h12H,1-5H2
InChIKeyIQVQPPWBLARVAI-UHFFFAOYSA-N
MW265.68 g/mol
LogP1.63
Rot. Bonds5

About 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (PubChem CID 106216715) has the molecular formula C7H11ClF3NO2S and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
PubChem CID106216715
Molecular FormulaC7H11ClF3NO2S
Molecular Weight265.68 g/mol
Exact Mass265.02
IUPAC Name3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11ClF3NO2S/c8-4-1-5-15(13,14)12-6(2-3-6)7(9,10)11/h12H,1-5H2
InChIKeyIQVQPPWBLARVAI-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide 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 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (CID 106216715) is 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The InChIKey is IQVQPPWBLARVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NO2S/c8-4-1-5-15(13,14)12-6(2-3-6)7(9,10)11/h12H,1-5H2.
What are the key properties of 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide has a molecular weight of 265.68 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is sourced from PubChem (CID 106216715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).