4-(difluoromethyl)piperidine-1-sulfonyl chloride

C6H10ClF2NO2S — CID 130680977

IUPAC4-(difluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(C(F)F)CC1
InChIInChI=1S/C6H10ClF2NO2S/c7-13(11,12)10-3-1-5(2-4-10)6(8)9/h5-6H,1-4H2
InChIKeyBEVSOGXXQMZPMD-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.45
Rot. Bonds2

About 4-(difluoromethyl)piperidine-1-sulfonyl chloride

4-(difluoromethyl)piperidine-1-sulfonyl chloride (PubChem CID 130680977) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine-1-sulfonyl chloride
PubChem CID130680977
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC Name4-(difluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(C(F)F)CC1
InChIInChI=1S/C6H10ClF2NO2S/c7-13(11,12)10-3-1-5(2-4-10)6(8)9/h5-6H,1-4H2
InChIKeyBEVSOGXXQMZPMD-UHFFFAOYSA-N
XLogP1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)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 4-(difluoromethyl)piperidine-1-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)piperidine-1-sulfonyl chloride (CID 130680977) is 4-(difluoromethyl)piperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)piperidine-1-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)piperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)piperidine-1-sulfonyl chloride?
The InChIKey is BEVSOGXXQMZPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c7-13(11,12)10-3-1-5(2-4-10)6(8)9/h5-6H,1-4H2.
What are the key properties of 4-(difluoromethyl)piperidine-1-sulfonyl chloride?
4-(difluoromethyl)piperidine-1-sulfonyl chloride has a molecular weight of 233.67 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidine-1-sulfonyl chloride is sourced from PubChem (CID 130680977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).