3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine

C13H16Cl2FNO2S — CID 105400625

IUPAC3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCCC(CCCl)C1
InChIInChI=1S/C13H16Cl2FNO2S/c14-6-5-10-2-1-7-17(9-10)20(18,19)13-8-11(16)3-4-12(13)15/h3-4,8,10H,1-2,5-7,9H2
InChIKeyVXIIKDNTKCFJAP-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.51
Rot. Bonds4

About 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine

3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine (PubChem CID 105400625) has the molecular formula C13H16Cl2FNO2S and a molecular weight of 340.25 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
PubChem CID105400625
Molecular FormulaC13H16Cl2FNO2S
Molecular Weight340.25 g/mol
Exact Mass339.03
IUPAC Name3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCCC(CCCl)C1
InChIInChI=1S/C13H16Cl2FNO2S/c14-6-5-10-2-1-7-17(9-10)20(18,19)13-8-11(16)3-4-12(13)15/h3-4,8,10H,1-2,5-7,9H2
InChIKeyVXIIKDNTKCFJAP-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
2-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120894317
1-(2-chloro-5-fluorophenyl)sulfonyl-3-ethylpiperidin-4-one
CID 105400243
3-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089696
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine (CID 105400625) is 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1cc(F)ccc1Cl)N1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine?
The InChIKey is VXIIKDNTKCFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO2S/c14-6-5-10-2-1-7-17(9-10)20(18,19)13-8-11(16)3-4-12(13)15/h3-4,8,10H,1-2,5-7,9H2.
What are the key properties of 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine?
3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine has a molecular weight of 340.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 105400625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).