3-(trifluoromethoxy)piperidine-1-sulfonyl chloride

C6H9ClF3NO3S — CID 75406444

IUPAC3-(trifluoromethoxy)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C6H9ClF3NO3S/c7-15(12,13)11-3-1-2-5(4-11)14-6(8,9)10/h5H,1-4H2
InChIKeyIBUCGQQUNOWUTE-UHFFFAOYSA-N
MW267.66 g/mol
LogP1.47
Rot. Bonds2

About 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride

3-(trifluoromethoxy)piperidine-1-sulfonyl chloride (PubChem CID 75406444) has the molecular formula C6H9ClF3NO3S and a molecular weight of 267.66 g/mol. Its IUPAC name is 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)piperidine-1-sulfonyl chloride
PubChem CID75406444
Molecular FormulaC6H9ClF3NO3S
Molecular Weight267.66 g/mol
Exact Mass266.99
IUPAC Name3-(trifluoromethoxy)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C6H9ClF3NO3S/c7-15(12,13)11-3-1-2-5(4-11)14-6(8,9)10/h5H,1-4H2
InChIKeyIBUCGQQUNOWUTE-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride 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-(trifluoromethoxy)piperidine-1-sulfonyl chloride?
The IUPAC name of 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride (CID 75406444) is 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride?
The canonical SMILES for 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCC(OC(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride?
The InChIKey is IBUCGQQUNOWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO3S/c7-15(12,13)11-3-1-2-5(4-11)14-6(8,9)10/h5H,1-4H2.
What are the key properties of 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride?
3-(trifluoromethoxy)piperidine-1-sulfonyl chloride has a molecular weight of 267.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)piperidine-1-sulfonyl chloride is sourced from PubChem (CID 75406444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).