3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine

C11H17Cl2N3O2S — CID 106315908

IUPAC3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC(CCCl)C1
InChIInChI=1S/C11H17Cl2N3O2S/c1-15-11(10(13)7-14-15)19(17,18)16-6-2-3-9(8-16)4-5-12/h7,9H,2-6,8H2,1H3
InChIKeyDXQAJGRZIVSMIY-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.10
Rot. Bonds4

About 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine

3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine (PubChem CID 106315908) has the molecular formula C11H17Cl2N3O2S and a molecular weight of 326.25 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
PubChem CID106315908
Molecular FormulaC11H17Cl2N3O2S
Molecular Weight326.25 g/mol
Exact Mass325.04
IUPAC Name3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC(CCCl)C1
InChIInChI=1S/C11H17Cl2N3O2S/c1-15-11(10(13)7-14-15)19(17,18)16-6-2-3-9(8-16)4-5-12/h7,9H,2-6,8H2,1H3
InChIKeyDXQAJGRZIVSMIY-UHFFFAOYSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)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

4-chloro-5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114172618
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114150469
3-bromo-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106316012
ethyl (3R)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine-3-carboxylate
CID 106150775
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
CID 114150476
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
CID 106150550
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
CID 155950524
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonyl-4-chloro-1-methylpyrazole
CID 106315994
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 114172496

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine (CID 106315908) is 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine is Cn1ncc(Cl)c1S(=O)(=O)N1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine?
The InChIKey is DXQAJGRZIVSMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O2S/c1-15-11(10(13)7-14-15)19(17,18)16-6-2-3-9(8-16)4-5-12/h7,9H,2-6,8H2,1H3.
What are the key properties of 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine?
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine has a molecular weight of 326.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine is sourced from PubChem (CID 106315908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).